 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer01_STD_M11_def2SVPD.in
 Output=11_L-cysteine_conformer01_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-254722.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    254745.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer01_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:37:28 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer01_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.038368000000      0.050355000000      0.973144000000
  S                                                -1.995843000000     -0.295319000000     -0.543653000000
  C                                                 0.363508000000      0.594497000000      0.695573000000
  N                                                 0.423962000000      1.801216000000     -0.127846000000
  C                                                 1.257054000000     -0.497668000000      0.075532000000
  O                                                 1.175185000000     -1.658561000000      0.374863000000
  O                                                 2.147652000000     -0.028506000000     -0.799987000000
  H                                                 0.830827000000      0.823589000000      1.659371000000
  H                                                -0.978162000000     -0.853759000000      1.573271000000
  H                                                -1.621949000000      0.791783000000      1.518928000000
  H                                                 1.947126000000      0.931990000000     -0.883214000000
  H                                                -0.300279000000      1.767801000000     -0.840577000000
  H                                                 0.299163000000      2.642352000000      0.418972000000
  H                                                -1.286825000000     -1.373729000000     -0.917887000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:37:29 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.038368    0.050355    0.973144
      2         16           0       -1.995843   -0.295319   -0.543653
      3          6           0        0.363508    0.594497    0.695573
      4          7           0        0.423962    1.801216   -0.127846
      5          6           0        1.257054   -0.497668    0.075532
      6          8           0        1.175185   -1.658561    0.374863
      7          8           0        2.147652   -0.028506   -0.799987
      8          1           0        0.830827    0.823589    1.659371
      9          1           0       -0.978162   -0.853759    1.573271
     10          1           0       -1.621949    0.791783    1.518928
     11          1           0        1.947126    0.931990   -0.883214
     12          1           0       -0.300279    1.767801   -0.840577
     13          1           0        0.299163    2.642352    0.418972
     14          1           0       -1.286825   -1.373729   -0.917887
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.826724   0.000000
     3  C    1.529180   2.809625   0.000000
     4  N    2.533003   3.228593   1.462137   0.000000
     5  C    2.524876   3.317480   1.541330   2.453624   0.000000
     6  O    2.859747   3.571767   2.416184   3.575907   1.201655
     7  O    3.647045   4.159982   2.409980   2.602069   1.334096
     8  H    2.136045   3.754375   1.095343   2.077363   2.106166
     9  H    1.086830   2.414311   2.160527   3.450890   2.714077
    10  H    1.090029   2.361319   2.158443   2.813640   3.469111
    11  H    3.624434   4.143500   2.261485   1.909493   1.854539
    12  H    2.604607   2.686925   2.043774   1.016675   2.897739
    13  H    2.968930   3.850144   2.067452   1.010987   3.300793
    14  H    2.380282   1.343773   3.033276   3.692050   2.868045
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.232273   0.000000
     8  H    2.815957   2.916939   0.000000
     9  H    2.592449   4.010500   2.468471   0.000000
    10  H    3.890634   4.501126   2.456999   1.767830   0.000000
    11  H    2.981544   0.984728   2.778959   4.216696   4.304444
    12  H    3.923550   3.036566   2.901840   3.627501   2.875185
    13  H    4.389443   3.469331   2.264764   3.897019   2.885339
    14  H    2.795322   3.690414   3.994360   2.563496   3.277166
                   11         12         13         14
    11  H    0.000000
    12  H    2.398172   0.000000
    13  H    2.708654   1.646400   0.000000
    14  H    3.971899   3.293700   4.520117   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.038368    0.050355    0.973144
      2         16           0       -1.995843   -0.295319   -0.543653
      3          6           0        0.363508    0.594497    0.695573
      4          7           0        0.423962    1.801216   -0.127846
      5          6           0        1.257054   -0.497668    0.075532
      6          8           0        1.175185   -1.658561    0.374863
      7          8           0        2.147652   -0.028506   -0.799987
      8          1           0        0.830827    0.823589    1.659371
      9          1           0       -0.978162   -0.853759    1.573271
     10          1           0       -1.621949    0.791783    1.518928
     11          1           0        1.947126    0.931990   -0.883214
     12          1           0       -0.300279    1.767801   -0.840577
     13          1           0        0.299162    2.642352    0.418972
     14          1           0       -1.286825   -1.373729   -0.917887
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0883872           1.5855371           1.3175751
 Leave Link  202 at Thu Aug 12 21:37:29 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 5 1.00
     Exponent=  9.1849303010D+03 Coefficients= -2.2294387756D-03
     Exponent=  1.3815105503D+03 Coefficients= -1.6683029937D-02
     Exponent=  3.1387147580D+02 Coefficients= -7.5262436116D-02
     Exponent=  8.8053870623D+01 Coefficients= -1.9376827038D-01
     Exponent=  2.7039914905D+01 Coefficients= -1.7718020803D-01
 S 3 1.00
     Exponent=  4.5648731303D+01 Coefficients= -1.0736062573D-01
     Exponent=  4.9664522326D+00 Coefficients=  6.5066293018D-01
     Exponent=  2.0116242047D+00 Coefficients=  5.9712155354D-01
 S 1 1.00
     Exponent=  3.5661077013D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3507221477D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.4999823506D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  2.6198233439D+02 Coefficients= -9.2729929822D-03
     Exponent=  6.1306894736D+01 Coefficients= -6.6547669241D-02
     Exponent=  1.9103729887D+01 Coefficients= -2.4828595903D-01
     Exponent=  6.6567720378D+00 Coefficients= -4.8703847402D-01
     Exponent=  2.3959635161D+00 Coefficients= -3.9337850312D-01
 P 1 1.00
     Exponent=  6.1776161679D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.6993376871D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1706793676D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0172853717D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   223 symmetry adapted cartesian basis functions of A   symmetry.
 There are   209 symmetry adapted basis functions of A   symmetry.
   209 basis functions,   315 primitive gaussians,   223 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       385.8531241237 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:37:29 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   209 RedAO= T EigKep=  4.42D-05  NBF=   209
 NBsUse=   209 1.00D-06 EigRej= -1.00D+00 NBFU=   209
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   223   223   223   223   223 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer01_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368605636 LenY=  5368555466
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.409662734687    
 DIIS: error= 4.19D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.409662734687     IErMin= 1 ErrMin= 4.19D-03
 ErrMax= 4.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-02 BMatP= 1.84D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.19D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.428 Goal=   None    Shift=    0.000
 GapD=    0.428 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.34D-03 MaxDP=1.11D-01              OVMax= 2.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.34D-03    CP:  9.95D-01
 E= -721.427699736941     Delta-E=       -0.018037002254 Rises=F Damp=F
 DIIS: error= 1.73D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.427699736941     IErMin= 2 ErrMin= 1.73D-03
 ErrMax= 1.73D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-03 BMatP= 1.84D-02
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.73D-02
 Coeff-Com:  0.171D-01 0.983D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.169D-01 0.983D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.00D-03 MaxDP=3.25D-02 DE=-1.80D-02 OVMax= 8.33D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.01D-04    CP:  9.91D-01  1.14D+00
 E= -721.428543772584     Delta-E=       -0.000844035643 Rises=F Damp=F
 DIIS: error= 1.14D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.428543772584     IErMin= 3 ErrMin= 1.14D-03
 ErrMax= 1.14D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.65D-04 BMatP= 1.00D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.14D-02
 Coeff-Com: -0.554D-01 0.449D+00 0.606D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.547D-01 0.444D+00 0.611D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.77D-04 MaxDP=5.72D-03 DE=-8.44D-04 OVMax= 4.60D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.38D-04    CP:  9.90D-01  1.16D+00  9.50D-01
 E= -721.428991563626     Delta-E=       -0.000447791042 Rises=F Damp=F
 DIIS: error= 2.93D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.428991563626     IErMin= 4 ErrMin= 2.93D-04
 ErrMax= 2.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-05 BMatP= 6.65D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.93D-03
 Coeff-Com: -0.194D-01 0.634D-01 0.195D+00 0.761D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.194D-01 0.633D-01 0.194D+00 0.762D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=8.42D-05 MaxDP=2.13D-03 DE=-4.48D-04 OVMax= 1.39D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.29D-05    CP:  9.89D-01  1.17D+00  1.00D+00  1.14D+00
 E= -721.429021041097     Delta-E=       -0.000029477471 Rises=F Damp=F
 DIIS: error= 9.95D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.429021041097     IErMin= 5 ErrMin= 9.95D-05
 ErrMax= 9.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-06 BMatP= 3.14D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-02-0.385D-01-0.255D-01 0.264D+00 0.799D+00
 Coeff:      0.124D-02-0.385D-01-0.255D-01 0.264D+00 0.799D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.88D-05 MaxDP=7.51D-04 DE=-2.95D-05 OVMax= 7.45D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.34D-05    CP:  9.89D-01  1.17D+00  1.02D+00  1.21D+00  1.03D+00
 E= -721.429025922545     Delta-E=       -0.000004881448 Rises=F Damp=F
 DIIS: error= 3.85D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.429025922545     IErMin= 6 ErrMin= 3.85D-05
 ErrMax= 3.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-07 BMatP= 4.75D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.253D-02-0.249D-01-0.321D-01 0.532D-01 0.382D+00 0.619D+00
 Coeff:      0.253D-02-0.249D-01-0.321D-01 0.532D-01 0.382D+00 0.619D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=8.22D-06 MaxDP=2.19D-04 DE=-4.88D-06 OVMax= 2.40D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.97D-06    CP:  9.89D-01  1.17D+00  1.02D+00  1.22D+00  1.06D+00
                    CP:  1.06D+00
 E= -721.429026677909     Delta-E=       -0.000000755364 Rises=F Damp=F
 DIIS: error= 7.70D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.429026677909     IErMin= 7 ErrMin= 7.70D-06
 ErrMax= 7.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-08 BMatP= 8.79D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.544D-03-0.198D-02-0.562D-02-0.217D-01-0.426D-03 0.181D+00
 Coeff-Com:  0.849D+00
 Coeff:      0.544D-03-0.198D-02-0.562D-02-0.217D-01-0.426D-03 0.181D+00
 Coeff:      0.849D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.55D-06 MaxDP=1.20D-04 DE=-7.55D-07 OVMax= 9.91D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.88D-06    CP:  9.89D-01  1.17D+00  1.02D+00  1.22D+00  1.09D+00
                    CP:  1.17D+00  1.17D+00
 E= -721.429026759215     Delta-E=       -0.000000081305 Rises=F Damp=F
 DIIS: error= 2.94D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.429026759215     IErMin= 8 ErrMin= 2.94D-06
 ErrMax= 2.94D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-09 BMatP= 5.43D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-03 0.235D-02 0.239D-02-0.120D-01-0.430D-01-0.285D-01
 Coeff-Com:  0.217D+00 0.862D+00
 Coeff:     -0.145D-03 0.235D-02 0.239D-02-0.120D-01-0.430D-01-0.285D-01
 Coeff:      0.217D+00 0.862D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.87D-06 MaxDP=5.87D-05 DE=-8.13D-08 OVMax= 4.42D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.76D-07    CP:  9.89D-01  1.17D+00  1.02D+00  1.22D+00  1.09D+00
                    CP:  1.22D+00  1.28D+00  1.11D+00
 E= -721.429026768659     Delta-E=       -0.000000009445 Rises=F Damp=F
 DIIS: error= 1.28D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.429026768659     IErMin= 9 ErrMin= 1.28D-06
 ErrMax= 1.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.70D-10 BMatP= 5.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.806D-04 0.827D-03 0.118D-02-0.209D-02-0.125D-01-0.271D-01
 Coeff-Com: -0.134D-01 0.270D+00 0.783D+00
 Coeff:     -0.806D-04 0.827D-03 0.118D-02-0.209D-02-0.125D-01-0.271D-01
 Coeff:     -0.134D-01 0.270D+00 0.783D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=5.34D-07 MaxDP=2.95D-05 DE=-9.44D-09 OVMax= 1.48D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.49D-07    CP:  9.89D-01  1.17D+00  1.02D+00  1.22D+00  1.09D+00
                    CP:  1.23D+00  1.31D+00  1.20D+00  1.13D+00
 E= -721.429026769718     Delta-E=       -0.000000001059 Rises=F Damp=F
 DIIS: error= 2.95D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.429026769718     IErMin=10 ErrMin= 2.95D-07
 ErrMax= 2.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.26D-11 BMatP= 6.70D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.566D-05-0.648D-04 0.303D-04 0.992D-03 0.247D-02-0.346D-02
 Coeff-Com: -0.287D-01-0.422D-01 0.176D+00 0.895D+00
 Coeff:     -0.566D-05-0.648D-04 0.303D-04 0.992D-03 0.247D-02-0.346D-02
 Coeff:     -0.287D-01-0.422D-01 0.176D+00 0.895D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.02D-07 MaxDP=5.76D-06 DE=-1.06D-09 OVMax= 6.46D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.18D-07    CP:  9.89D-01  1.17D+00  1.02D+00  1.22D+00  1.09D+00
                    CP:  1.23D+00  1.32D+00  1.23D+00  1.24D+00  1.10D+00
 E= -721.429026769847     Delta-E=       -0.000000000129 Rises=F Damp=F
 DIIS: error= 8.43D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.429026769847     IErMin=11 ErrMin= 8.43D-08
 ErrMax= 8.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-12 BMatP= 6.26D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.720D-05-0.929D-04-0.119D-03 0.383D-03 0.168D-02 0.215D-02
 Coeff-Com: -0.313D-02-0.368D-01-0.484D-01 0.164D+00 0.920D+00
 Coeff:      0.720D-05-0.929D-04-0.119D-03 0.383D-03 0.168D-02 0.215D-02
 Coeff:     -0.313D-02-0.368D-01-0.484D-01 0.164D+00 0.920D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.76D-08 MaxDP=2.09D-06 DE=-1.29D-10 OVMax= 2.56D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.98D-08    CP:  9.89D-01  1.17D+00  1.02D+00  1.22D+00  1.09D+00
                    CP:  1.23D+00  1.32D+00  1.23D+00  1.29D+00  1.20D+00
                    CP:  1.21D+00
 E= -721.429026769862     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 3.72D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -721.429026769862     IErMin=12 ErrMin= 3.72D-08
 ErrMax= 3.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-13 BMatP= 5.83D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.273D-05-0.206D-04-0.378D-04 0.817D-05 0.207D-03 0.934D-03
 Coeff-Com:  0.209D-02-0.595D-02-0.292D-01-0.482D-01 0.238D+00 0.842D+00
 Coeff:      0.273D-05-0.206D-04-0.378D-04 0.817D-05 0.207D-03 0.934D-03
 Coeff:      0.209D-02-0.595D-02-0.292D-01-0.482D-01 0.238D+00 0.842D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.00D-08 MaxDP=6.64D-07 DE=-1.50D-11 OVMax= 9.59D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.23D-08    CP:  9.89D-01  1.17D+00  1.02D+00  1.22D+00  1.09D+00
                    CP:  1.23D+00  1.32D+00  1.23D+00  1.29D+00  1.21D+00
                    CP:  1.30D+00  1.12D+00
 E= -721.429026769849     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 1.45D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -721.429026769862     IErMin=13 ErrMin= 1.45D-08
 ErrMax= 1.45D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-13 BMatP= 8.81D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.789D-06 0.123D-04 0.142D-04-0.623D-04-0.254D-03-0.196D-03
 Coeff-Com:  0.949D-03 0.491D-02 0.293D-02-0.366D-01-0.112D+00 0.152D+00
 Coeff-Com:  0.988D+00
 Coeff:     -0.789D-06 0.123D-04 0.142D-04-0.623D-04-0.254D-03-0.196D-03
 Coeff:      0.949D-03 0.491D-02 0.293D-02-0.366D-01-0.112D+00 0.152D+00
 Coeff:      0.988D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.00D-08 MaxDP=3.26D-07 DE= 1.27D-11 OVMax= 5.53D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.66D-09    CP:  9.89D-01  1.17D+00  1.02D+00  1.22D+00  1.09D+00
                    CP:  1.23D+00  1.32D+00  1.23D+00  1.30D+00  1.21D+00
                    CP:  1.34D+00  1.27D+00  1.27D+00
 E= -721.429026769878     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 5.13D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -721.429026769878     IErMin=14 ErrMin= 5.13D-09
 ErrMax= 5.13D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-14 BMatP= 1.26D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.332D-06 0.276D-05 0.505D-05-0.411D-05-0.337D-04-0.101D-03
 Coeff-Com: -0.188D-03 0.788D-03 0.325D-02 0.478D-02-0.314D-01-0.973D-01
 Coeff-Com:  0.500D-01 0.107D+01
 Coeff:     -0.332D-06 0.276D-05 0.505D-05-0.411D-05-0.337D-04-0.101D-03
 Coeff:     -0.188D-03 0.788D-03 0.325D-02 0.478D-02-0.314D-01-0.973D-01
 Coeff:      0.500D-01 0.107D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.96D-09 MaxDP=6.50D-08 DE=-2.86D-11 OVMax= 2.24D-07

 SCF Done:  E(RM11) =  -721.429026770     A.U. after   14 cycles
            NFock= 14  Conv=0.30D-08     -V/T= 2.0068
 KE= 7.165736676367D+02 PE=-2.472310887974D+03 EE= 6.484550694440D+02
 Leave Link  502 at Thu Aug 12 21:38:12 2021, MaxMem=  5368709120 cpu:             332.2 elap:              41.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   209
 NBasis=   209 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    209 NOA=    32 NOB=    32 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.31590986D+02

 Leave Link  801 at Thu Aug 12 21:38:12 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4257 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.44D-14 8.33D-09 XBig12= 1.00D+00 1.87D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.44D-14 8.33D-09 XBig12= 1.45D-01 8.88D-02.
     11 vectors produced by pass  2 Test12= 9.44D-14 8.33D-09 XBig12= 1.86D-02 2.64D-02.
     11 vectors produced by pass  3 Test12= 9.44D-14 8.33D-09 XBig12= 1.73D-03 7.77D-03.
     11 vectors produced by pass  4 Test12= 9.44D-14 8.33D-09 XBig12= 9.24D-05 1.70D-03.
     11 vectors produced by pass  5 Test12= 9.44D-14 8.33D-09 XBig12= 2.94D-06 3.00D-04.
     11 vectors produced by pass  6 Test12= 9.44D-14 8.33D-09 XBig12= 8.20D-08 4.67D-05.
     11 vectors produced by pass  7 Test12= 9.44D-14 8.33D-09 XBig12= 2.36D-09 6.66D-06.
     11 vectors produced by pass  8 Test12= 9.44D-14 8.33D-09 XBig12= 5.59D-11 1.07D-06.
      9 vectors produced by pass  9 Test12= 9.44D-14 8.33D-09 XBig12= 1.03D-12 1.61D-07.
      3 vectors produced by pass 10 Test12= 9.44D-14 8.33D-09 XBig12= 1.93D-14 2.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.783543D+02
      2  0.299120D+01  0.760581D+02
      3 -0.677790D-01 -0.220100D+00  0.687694D+02
 Isotropic polarizability for W=    0.088559       74.39 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.622585D+02 -0.178558D+02 -0.348174D+02
      2   0.318994D+02  0.127850D+02  0.119626D+02
      3   0.303591D+02  0.507078D+01  0.228548D+02
      4  -0.178533D+01 -0.136246D+02 -0.129589D+02
      5  -0.234320D+02 -0.146515D+02 -0.422371D+02
      6  -0.225423D+01  0.905066D+01  0.118742D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.623319D+00 -0.144072D+01 -0.364838D+01
      2  -0.171715D+02 -0.825699D+01 -0.296595D+02
      3   0.124132D+02  0.969595D+01  0.754875D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.169262D+01 -0.291194D+01 -0.680344D+01
      2  -0.113853D+02 -0.107046D+02 -0.725962D+02
      3   0.160705D+02  0.455240D+02  0.123972D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.777274D+00  0.286590D+01 -0.103282D+01
      2   0.286590D+01  0.140988D+01  0.160685D+01
      3  -0.103282D+01  0.160685D+01 -0.717523D+00
 OR G Eigenvalues:    -3.7880     0.1743     3.5287  Iso=     0.0283
 Eigenvectors:
   (1)   0.679299  -0.531102   0.506443
   (2)  -0.526469   0.128092   0.840490
   (3)   0.511257   0.837570   0.192596
 w=    0.088559 a.u., Optical Rotation Beta=      0.0283 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =       11.85 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21945 ScalPx= 3.93D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21945 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.22D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.57D-14 2.78D-09 XBig12= 1.00D+00 4.43D-01.
     30 vectors produced by pass  1 Test12= 1.57D-14 2.78D-09 XBig12= 4.48D-02 3.53D-02.
     30 vectors produced by pass  2 Test12= 1.57D-14 2.78D-09 XBig12= 1.45D-03 4.77D-03.
     30 vectors produced by pass  3 Test12= 1.57D-14 2.78D-09 XBig12= 2.21D-05 5.85D-04.
     30 vectors produced by pass  4 Test12= 1.57D-14 2.78D-09 XBig12= 2.48D-07 5.52D-05.
     30 vectors produced by pass  5 Test12= 1.57D-14 2.78D-09 XBig12= 2.38D-09 5.43D-06.
     30 vectors produced by pass  6 Test12= 1.57D-14 2.78D-09 XBig12= 1.88D-11 4.52D-07.
     30 vectors produced by pass  7 Test12= 1.57D-14 2.78D-09 XBig12= 1.27D-13 3.70D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21945 ScalPx= 1.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21945 ScalPx= 1.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21945 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.65D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.783543D+02  0.299120D+01 -0.677790D-01
      2   0.299120D+01  0.760581D+02 -0.220100D+00
      3  -0.677790D-01 -0.220100D+00  0.687694D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.623319D+00 -0.144072D+01 -0.364838D+01
      2  -0.171715D+02 -0.825699D+01 -0.296595D+02
      3   0.124132D+02  0.969595D+01  0.754875D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.622585D+02 -0.178558D+02 -0.348174D+02
      2   0.318994D+02  0.127850D+02  0.119626D+02
      3   0.303591D+02  0.507078D+01  0.228548D+02
      4  -0.178533D+01 -0.136246D+02 -0.129589D+02
      5  -0.234320D+02 -0.146515D+02 -0.422371D+02
      6  -0.225423D+01  0.905066D+01  0.118742D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.627813D+00 -0.115458D+01  0.243226D+01 -0.107912D+01  0.108497D+01
      2  -0.115458D+01  0.120021D+01  0.257907D+01  0.108497D+01  0.236547D+00
      3   0.243226D+01  0.257907D+01  0.490064D+01  0.261744D+01 -0.337726D+01
                 6             7             8             9            10 
      1   0.261744D+01  0.474991D+01  0.318487D+01  0.474484D+01 -0.990140D+01
      2  -0.337726D+01  0.318487D+01 -0.115673D+01  0.168491D+01  0.364644D+00
      3   0.276055D+01  0.474484D+01  0.168491D+01  0.307447D+01 -0.326603D+01
                11            12            13            14            15 
      1   0.364644D+00 -0.326603D+01  0.228609D+01 -0.464443D+01 -0.956137D+00
      2  -0.452625D+01 -0.896058D+00 -0.464443D+01  0.279276D+01  0.528960D-01
      3  -0.896058D+00 -0.514209D+01 -0.956137D+00  0.528960D-01  0.466434D+00
                16            17            18            19            20 
      1  -0.422088D+01 -0.180931D+01 -0.620915D+01  0.676087D+00  0.239755D+01
      2  -0.180931D+01  0.399062D+00 -0.765042D+00  0.239755D+01 -0.123032D+01
      3  -0.620915D+01 -0.765042D+00 -0.778041D+01 -0.168589D+01 -0.197411D+01
                21            22            23            24            25 
      1  -0.168589D+01  0.202703D+01 -0.175044D+01 -0.118078D+01 -0.271296D+01
      2  -0.197411D+01 -0.175044D+01 -0.369047D+00  0.148360D+01 -0.194062D+01
      3  -0.227616D+01 -0.118078D+01  0.148360D+01 -0.811588D+00 -0.340077D+01
                26            27            28            29            30 
      1  -0.194062D+01 -0.340077D+01  0.196268D+01  0.942223D+00  0.113456D+01
      2   0.486644D+00 -0.188229D+01  0.942223D+00  0.334536D+01  0.184895D-01
      3  -0.188229D+01 -0.453393D+01  0.113456D+01  0.184895D-01  0.155906D+01
                31            32            33            34            35 
      1   0.607682D+00  0.254979D+01 -0.172301D+00  0.199661D+01  0.548119D+00
      2   0.254979D+01 -0.522878D-01 -0.298552D+01  0.548119D+00 -0.310392D+01
      3  -0.172301D+00 -0.298552D+01  0.128618D-02  0.200363D+01  0.174959D+00
                36            37            38            39            40 
      1   0.200363D+01  0.100285D+01 -0.142195D+01  0.503093D+00 -0.266600D+00
      2   0.174959D+00 -0.142195D+01  0.159916D+01  0.769395D+00  0.832494D+00
      3   0.212392D-01  0.503093D+00  0.769395D+00  0.732907D+00  0.640605D+00
                41            42            43            44            45 
      1   0.832494D+00  0.640605D+00 -0.805490D+00  0.128628D+01  0.141040D+00
      2   0.443745D+01 -0.213210D+01  0.128628D+01 -0.248242D+01  0.260009D+00
      3  -0.213210D+01  0.385215D+00  0.141040D+00  0.260009D+00 -0.224600D+00
                46            47            48            49            50 
      1  -0.565421D+00 -0.264405D+01  0.616974D+00 -0.366857D+01  0.832463D+00
      2  -0.264405D+01  0.440574D+00 -0.494901D+00  0.832463D+00 -0.121733D+02
      3   0.616974D+00 -0.494901D+00 -0.138050D+00  0.318418D-01  0.242122D+01
                51            52            53            54            55 
      1   0.318418D-01  0.115757D+01 -0.509099D+00  0.163136D+00  0.541910D+01
      2   0.242122D+01 -0.509099D+00  0.166864D+01 -0.282920D+01  0.314801D+00
      3  -0.255481D+01  0.163136D+00 -0.282920D+01  0.209644D+01 -0.231420D+01
                56            57            58            59            60 
      1   0.314801D+00 -0.231420D+01 -0.230295D+01  0.281859D+01  0.959948D+00
      2   0.107649D+01 -0.137707D+00  0.281859D+01 -0.319597D+01 -0.623288D+00
      3  -0.137707D+00  0.113462D+01  0.959948D+00 -0.623288D+00 -0.697472D+00
                61            62            63            64            65 
      1  -0.169240D+01 -0.187318D+00  0.218456D+01  0.225324D+01  0.302941D+00
      2  -0.187318D+00  0.397656D+00  0.354931D+00  0.302941D+00  0.933809D+00
      3   0.218456D+01  0.354931D+00 -0.308886D+01  0.245262D+01  0.923228D+00
                66            67            68            69            70 
      1   0.245262D+01  0.182300D+00  0.120885D+01  0.736375D+00  0.322255D+01
      2   0.923228D+00  0.120885D+01  0.150179D+01  0.136530D+01  0.992453D+00
      3   0.234555D+01  0.736375D+00  0.136530D+01  0.121978D+01  0.297359D+01
                71            72            73            74            75 
      1   0.992453D+00  0.297359D+01  0.472732D+00 -0.702603D+00  0.739488D+00
      2   0.165743D+01  0.190635D+01 -0.702603D+00 -0.400645D+00 -0.122006D+00
      3   0.190635D+01  0.746233D+01  0.739488D+00 -0.122006D+00 -0.352852D+00
                76            77            78            79            80 
      1  -0.165460D+01 -0.441690D+00 -0.663880D+00  0.488137D+00 -0.148910D+00
      2  -0.441690D+00 -0.364563D+01  0.275853D+01 -0.148910D+00  0.186818D+01
      3  -0.663880D+00  0.275853D+01 -0.425573D+01 -0.338791D+00 -0.232162D+01
                81            82            83            84            85 
      1  -0.338791D+00 -0.267359D+01  0.151800D+01  0.144892D+01  0.213444D+01
      2  -0.232162D+01  0.151800D+01 -0.143202D+01 -0.142360D+01 -0.141950D+01
      3   0.415119D+01  0.144892D+01 -0.142360D+01 -0.267061D+01 -0.120012D+01
                86            87            88            89            90 
      1  -0.141950D+01 -0.120012D+01  0.897977D+00 -0.955786D+00 -0.207413D+01
      2   0.322904D+01  0.268376D+01 -0.955786D+00  0.151825D+01  0.165509D+01
      3   0.268376D+01  0.248584D+01 -0.207413D+01  0.165509D+01  0.324160D+01
                91            92            93            94            95 
      1   0.595244D+00  0.144210D+01  0.985355D-01  0.355842D+01 -0.848130D+00
      2   0.144210D+01 -0.387877D+00 -0.338424D+00 -0.848130D+00  0.450676D+01
      3   0.985355D-01 -0.338424D+00  0.258931D+00 -0.135867D+01 -0.538737D+00
                96            97            98            99           100 
      1  -0.135867D+01 -0.385224D+00 -0.505940D+00  0.654205D+00 -0.226585D+01
      2  -0.538737D+00 -0.505940D+00 -0.652059D+00  0.579255D+00 -0.249852D+00
      3   0.147255D+01  0.654205D+00  0.579255D+00 -0.134679D+01 -0.176799D+01
               101           102           103           104           105 
      1  -0.249852D+00 -0.176799D+01 -0.376660D+00 -0.110504D+01  0.804834D-01
      2  -0.209982D+01  0.358795D+00 -0.110504D+01  0.273469D+00 -0.429306D+00
      3   0.358795D+00 -0.142210D+01  0.804834D-01 -0.429306D+00  0.196326D+00
               106           107           108           109           110 
      1  -0.319045D+01 -0.386246D+00 -0.114455D+01  0.249989D+00  0.774335D+00
      2  -0.386246D+00 -0.168179D+01  0.810789D+00  0.774335D+00 -0.125404D+01
      3  -0.114455D+01  0.810789D+00 -0.273919D+01 -0.262129D-01 -0.899502D-01
               111           112           113           114           115 
      1  -0.262129D-01  0.134457D+01 -0.799388D+00 -0.190425D+00  0.518535D+00
      2  -0.899502D-01 -0.799388D+00  0.826178D+01  0.195865D+01 -0.338735D-01
      3   0.284763D-01 -0.190425D+00  0.195865D+01  0.152408D+01 -0.127203D+00
               116           117           118           119           120 
      1  -0.338735D-01 -0.127203D+00  0.214651D+01 -0.188356D+01 -0.366129D+00
      2   0.368372D+01  0.181293D+01 -0.188356D+01  0.273536D+01  0.827778D+00
      3   0.181293D+01  0.138015D+01 -0.366129D+00  0.827778D+00  0.104168D+01
               121           122           123           124           125 
      1  -0.279203D+01  0.168148D+01  0.655627D+00 -0.239010D-01  0.465378D+00
      2   0.168148D+01 -0.580331D+01 -0.263774D+01  0.465378D+00 -0.260265D+01
      3   0.655627D+00 -0.263774D+01 -0.219246D+01  0.429596D+00 -0.144108D+01
               126 
      1   0.429596D+00
      2  -0.144108D+01
      3  -0.171364D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.294693D+01  0.681167D+00  0.473531D+01 -0.204769D+01 -0.160581D+01
      2   0.462401D+01  0.146329D+01 -0.431750D+01  0.132979D+01  0.278978D+01
      3  -0.247885D+01  0.381520D+00  0.168725D+01  0.780328D+01  0.439308D+01
                 6             7             8             9            10 
      1  -0.102008D+02  0.448320D+01 -0.570384D+00  0.466425D+01 -0.330319D+01
      2  -0.799549D+01 -0.148521D+02 -0.585950D+01 -0.117392D+02  0.101570D+02
      3  -0.243590D+01  0.299328D+01 -0.673310D+00  0.226772D+01  0.407866D+01
                11            12            13            14            15 
      1   0.138433D+01 -0.330487D+01 -0.124108D+01 -0.683252D+01 -0.113368D+02
      2   0.618593D+01  0.225629D+02  0.625331D+01 -0.109135D+01 -0.697090D+00
      3  -0.190504D+02 -0.276746D+01 -0.791426D+00  0.106614D+02  0.249725D+01
                16            17            18            19            20 
      1  -0.232088D+00  0.595006D+01 -0.125709D+01  0.453264D+01 -0.258909D+00
      2   0.261911D+01 -0.556232D+00  0.117523D+02 -0.557025D+01 -0.428016D+01
      3  -0.350563D+01  0.319984D+01  0.133051D+01 -0.997177D+00 -0.296637D+01
                21            22            23            24            25 
      1  -0.636955D+00 -0.416995D+00 -0.448694D+00  0.126682D+01  0.416194D+00
      2   0.173624D+01 -0.661501D+01  0.136265D+00 -0.126750D+01 -0.867172D+00
      3  -0.787566D+00  0.479685D+01  0.332224D+01  0.532687D+00  0.833116D+00
                26            27            28            29            30 
      1   0.656360D+01 -0.213976D+01 -0.500413D+01 -0.270087D+01 -0.399213D+01
      2  -0.120623D+01  0.109008D+01  0.289901D+01 -0.597268D+00  0.759283D+01
      3  -0.146781D+01 -0.799196D+00  0.524793D+01 -0.517305D+01  0.422532D+01
                31            32            33            34            35 
      1  -0.920916D+00  0.102541D+02 -0.338418D+01 -0.550661D+01  0.467762D+01
      2   0.180382D+01 -0.198814D+01  0.553619D+00  0.338572D+00  0.193826D+01
      3   0.413914D+01  0.329402D+01  0.188871D+01  0.495882D+01  0.553232D+01
                36            37            38            39            40 
      1   0.118292D+01 -0.155054D+01  0.298238D+01  0.742230D+00  0.391740D+01
      2  -0.848784D+00 -0.125755D+02  0.392892D+01 -0.294280D+00 -0.120366D+01
      3   0.365636D+01  0.666899D+01 -0.661557D+01 -0.831180D+00 -0.876756D+01
                41            42            43            44            45 
      1   0.151096D+01  0.570156D+01 -0.277159D+01  0.684324D+01 -0.238473D+01
      2   0.365934D+00  0.302275D+01 -0.114792D+02  0.400491D+01  0.869444D+01
      3  -0.973296D+01 -0.139123D+01  0.199087D+01 -0.238938D+01 -0.761922D-02
                46            47            48            49            50 
      1   0.831873D+00  0.590420D-01  0.526566D+00  0.487222D+00 -0.225343D+01
      2   0.292034D+01 -0.199652D+01  0.280051D+01  0.304471D+01  0.571321D+00
      3   0.406146D+01 -0.774456D+00  0.656039D+00  0.141921D+02  0.175690D+02
                51            52            53            54            55 
      1  -0.113848D+02  0.519031D+00  0.164017D+00  0.229613D+01  0.634405D+00
      2  -0.473958D+01 -0.128246D+01 -0.558022D+01  0.997642D+00  0.167730D+01
      3  -0.209644D+01 -0.112630D+01 -0.123652D+01  0.480254D+01 -0.572526D+00
                56            57            58            59            60 
      1  -0.414763D+01 -0.128912D+01 -0.430244D+01  0.711571D+01 -0.249967D+01
      2  -0.201548D+01  0.662462D+01 -0.922331D+00  0.551904D+00 -0.188145D+01
      3  -0.936651D+01  0.795770D+00 -0.641361D+01  0.142508D+02  0.237590D+01
                61            62            63            64            65 
      1   0.143218D+01  0.299715D+01  0.262183D-02 -0.111573D+01  0.120159D+01
      2   0.397893D+01 -0.130112D+01 -0.954328D+01 -0.149100D+01 -0.291132D+00
      3  -0.849345D+00  0.307644D+01 -0.148972D+01  0.147911D+01 -0.150935D+01
                66            67            68            69            70 
      1  -0.895067D+00  0.866795D+00  0.178991D+01 -0.487832D+00 -0.285009D+00
      2  -0.275912D-01  0.434960D+00 -0.860769D+00  0.460636D+00 -0.441788D+01
      3   0.137673D+01  0.501028D+00 -0.949221D+00 -0.249180D+00  0.146404D+01
                71            72            73            74            75 
      1   0.220367D+01 -0.244692D+01 -0.844248D+00  0.640607D+00 -0.538749D+00
      2  -0.400970D+00  0.391272D+00 -0.319716D+01  0.861747D+00  0.126553D+00
      3  -0.829291D+00  0.863822D+00 -0.105393D+01 -0.824354D+00 -0.525966D+00
                76            77            78            79            80 
      1   0.395731D+00 -0.545290D+01  0.307243D+01 -0.252551D+00  0.474645D+01
      2   0.361518D+01 -0.288934D+01  0.592443D+01 -0.236120D+01  0.253959D+01
      3   0.159257D+01 -0.539729D+01  0.379664D+01 -0.683663D+00  0.199305D+01
                81            82            83            84            85 
      1  -0.310421D+01  0.178195D+01 -0.170790D+01 -0.888450D+00 -0.153892D+01
      2  -0.315500D+01  0.213815D+01 -0.117433D+00  0.247351D+01 -0.255918D+01
      3  -0.282953D+01  0.102030D+01 -0.299728D+01 -0.177783D+01  0.334746D+00
                86            87            88            89            90 
      1   0.409768D+01  0.166577D+01 -0.770242D+00  0.340301D+01  0.335828D+00
      2  -0.139517D+01 -0.184021D+01 -0.965233D+00 -0.866617D+00 -0.899359D+00
      3   0.419427D+01  0.332611D+01 -0.446577D+00  0.192971D+01  0.159285D+01
                91            92            93            94            95 
      1  -0.160856D+01  0.328830D+01 -0.855529D+00  0.415917D+01 -0.853138D+01
      2  -0.182389D+01  0.967253D+00 -0.556758D-01  0.110412D+01 -0.330364D+01
      3  -0.139479D+01  0.403499D+01  0.102500D+01  0.769645D+01 -0.177178D+02
                96            97            98            99           100 
      1  -0.100014D-01 -0.718802D+00  0.159258D+01  0.850043D+00  0.587963D+01
      2   0.334450D+01 -0.114365D+01  0.148983D+01 -0.474574D+00 -0.360295D+01
      3  -0.260687D+00  0.188787D+00 -0.187758D+00 -0.115622D+00 -0.804552D+01
               101           102           103           104           105 
      1   0.124865D+01  0.516240D+01  0.108805D+01  0.152578D+01 -0.634932D+00
      2  -0.381409D+00 -0.281813D+01 -0.126395D+01 -0.211131D+01 -0.322005D+00
      3  -0.214737D+01 -0.461077D+01 -0.765990D+00 -0.236865D+01  0.777180D+00
               106           107           108           109           110 
      1   0.488527D+01  0.555617D+00  0.575432D+01  0.655426D+00  0.604027D+00
      2  -0.543440D+01 -0.891418D+00 -0.175850D+01  0.105050D+00  0.109081D+00
      3  -0.825770D+01 -0.309196D+00 -0.350244D+01 -0.230050D+00  0.144416D+01
               111           112           113           114           115 
      1   0.334829D+00  0.107453D+01 -0.599981D+01 -0.531625D+01  0.454876D+00
      2  -0.439399D-01 -0.192492D+00  0.148100D+01  0.784140D+00 -0.843774D+00
      3  -0.350617D+00  0.521041D+01 -0.620449D+01 -0.213487D+01  0.186446D+01
               116           117           118           119           120 
      1  -0.403443D+01 -0.380873D+01  0.205740D+01 -0.327477D+01  0.899540D+00
      2   0.133479D+01  0.853262D+00  0.369666D+01 -0.395266D+01 -0.199002D+01
      3  -0.251445D+01 -0.161281D+01 -0.928222D+01  0.753719D+01  0.200184D+01
               121           122           123           124           125 
      1  -0.147759D+01  0.494620D+01 -0.821373D+00 -0.155237D+00  0.293468D+01
      2  -0.482927D+01  0.774352D+01  0.465325D+01 -0.246025D+01  0.385669D+01
      3   0.964263D+01 -0.138161D+02 -0.666377D+01  0.575837D+00 -0.612364D+01
               126 
      1  -0.612444D-01
      2   0.467728D+01
      3  -0.415686D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.614380D+01 -0.125882D+01 -0.709640D+01 -0.267731D+01  0.516292D+01
      2  -0.551709D+00 -0.403832D+01  0.522563D+01 -0.199974D+01  0.165196D+01
      3   0.669551D+01  0.529713D+01  0.187076D+01  0.467705D+01 -0.681488D+01
      4   0.309807D+01 -0.564001D+01 -0.600032D+01 -0.313763D+01  0.206003D+01
      5  -0.404814D+01 -0.858188D+01 -0.173636D+02 -0.115494D+02  0.119838D+02
      6  -0.254937D+01  0.380824D+01  0.401320D+01  0.544710D+01  0.152612D+01
                 6             7             8             9            10 
      1  -0.812830D+01 -0.217532D+02 -0.877709D+01 -0.998816D+01  0.626877D+02
      2   0.505511D+01  0.938544D+01  0.681617D+00  0.593213D+01 -0.335692D+02
      3   0.307319D+01  0.123678D+02  0.809547D+01  0.405603D+01 -0.291185D+02
      4   0.860786D+01 -0.121232D+02 -0.590933D+00 -0.336979D+00  0.625881D+01
      5  -0.362552D+01 -0.174677D+02 -0.112095D+01 -0.906903D+01  0.162246D+02
      6  -0.116863D+02  0.275545D+01 -0.100684D+02  0.103579D+01 -0.168830D+01
                11            12            13            14            15 
      1  -0.328889D+01  0.820537D+01 -0.140188D+02  0.147622D+02  0.629422D+01
      2   0.754902D+01 -0.647592D+01  0.138316D+02  0.384094D+01 -0.613656D+01
      3  -0.426012D+01 -0.172946D+01  0.187209D+00 -0.186032D+02 -0.157661D+00
      4   0.291174D+02  0.209192D+01  0.330873D+02 -0.100413D+01  0.209888D+01
      5   0.336300D+00  0.351259D+02  0.149677D+01  0.330606D+01  0.200883D+01
      6   0.751224D+01  0.454855D+01  0.583443D+01 -0.995050D+01  0.113209D+02
                16            17            18            19            20 
      1   0.101723D+02  0.866168D+01  0.116302D+02 -0.186973D+01  0.567927D+01
      2  -0.101969D+02 -0.523605D+01 -0.259547D+02  0.892391D+01 -0.101742D+01
      3   0.246055D-01 -0.342563D+01  0.143246D+02 -0.705418D+01 -0.466185D+01
      4   0.603563D+01 -0.144478D+01  0.394538D+01  0.211314D+01  0.170911D+00
      5   0.403388D+02  0.632453D+01  0.289708D+02 -0.365758D+01 -0.133631D+01
      6   0.693303D+01  0.107503D+02 -0.489382D+00 -0.400601D+01 -0.509643D+01
                21            22            23            24            25 
      1   0.635395D+01  0.834798D+00 -0.988941D+00 -0.160353D+00  0.110375D+02
      2   0.300972D+01  0.159579D+01 -0.299805D+01  0.353463D+01 -0.474847D+00
      3  -0.936367D+01 -0.243059D+01  0.398699D+01 -0.337428D+01 -0.105626D+02
      4  -0.354239D+01 -0.607564D+01 -0.522240D+01  0.132687D+01  0.299164D+01
      5  -0.657769D+01  0.154224D+01 -0.708634D+00 -0.672615D+01 -0.403959D+01
      6  -0.666175D+01 -0.228427D+01  0.128268D+01 -0.213425D+01 -0.563267D+01
                26            27            28            29            30 
      1   0.122175D+01  0.728282D+01  0.748631D+01 -0.101549D+02 -0.903879D-01
      2   0.983451D+01  0.666656D+01 -0.116436D+01  0.148940D+02  0.201267D+00
      3  -0.110563D+02 -0.139494D+02 -0.632195D+01 -0.473905D+01 -0.110880D+00
      4   0.147225D+01 -0.564377D+01  0.240151D+01  0.474482D+01  0.482919D+01
      5  -0.378715D+01 -0.924024D+01 -0.198094D+01  0.391421D+00  0.526485D+01
      6  -0.202139D+01 -0.890931D+01  0.502430D+01 -0.101923D+01  0.721983D+01
                31            32            33            34            35 
      1  -0.508708D+01  0.922180D+00  0.894770D+01 -0.273218D+01  0.974369D+01
      2   0.915705D+01 -0.866268D+00 -0.136057D+02  0.352711D+01 -0.191963D+02
      3  -0.406998D+01 -0.559117D-01  0.465802D+01 -0.794929D+00  0.945261D+01
      4   0.891591D+01  0.988777D+01 -0.395464D+01  0.432701D+01 -0.443340D+01
      5  -0.589756D+00 -0.257512D+01  0.221536D+01  0.451782D+01  0.115334D+01
      6  -0.157580D+01 -0.165124D+02  0.404754D+01  0.566916D+01  0.878884D+00
                36            37            38            39            40 
      1   0.485816D+00 -0.486254D+01 -0.450198D+01  0.100500D+01 -0.103504D+01
      2  -0.333982D+01  0.422400D-01  0.177218D+01 -0.735917D+01  0.235921D+01
      3   0.285400D+01  0.482030D+01  0.272980D+01  0.635418D+01 -0.132417D+01
      4   0.600849D+01 -0.412907D+01  0.113862D+01  0.190658D+01 -0.911543D+01
      5  -0.422456D+01  0.707587D+01  0.237603D+01 -0.310330D+01  0.451268D+01
      6  -0.228527D+01  0.366204D+00  0.111781D+00  0.480514D+00 -0.160827D+01
                41            42            43            44            45 
      1   0.169617D+02 -0.307824D+01  0.112511D+02  0.147498D+01  0.761192D+00
      2  -0.273315D+02 -0.102143D+00 -0.947310D+01  0.328666D+01 -0.176647D+01
      3   0.103698D+02  0.318038D+01 -0.177802D+01 -0.476164D+01  0.100528D+01
      4   0.172653D+02 -0.516734D+01  0.757042D+01 -0.230156D+01  0.229855D+01
      5  -0.827340D+01  0.467977D+01 -0.115694D+00  0.188294D+01  0.865191D+01
      6   0.719863D+01 -0.993120D+01  0.295854D+01  0.671063D-02  0.258217D+01
                46            47            48            49            50 
      1   0.424507D+01 -0.656148D+01  0.118964D+01 -0.689907D+01 -0.292425D+02
      2   0.313819D+01  0.262993D+01  0.524646D-01  0.903475D+00  0.522849D+02
      3  -0.738327D+01  0.393154D+01 -0.124211D+01  0.599559D+01 -0.230424D+02
      4  -0.888575D+01  0.141529D+02 -0.318596D+01  0.181535D+02 -0.344774D+02
      5   0.386377D+01 -0.333881D+01  0.595521D+01 -0.232820D+01  0.109596D+02
      6  -0.211249D+01  0.147411D+01 -0.221495D+01  0.306363D+01 -0.110766D+02
                51            52            53            54            55 
      1   0.690448D+01  0.869005D+00  0.359477D+01 -0.791606D+01  0.407999D+02
      2  -0.558077D+01  0.974521D+00 -0.443860D+01  0.438998D+01 -0.259251D+02
      3  -0.132371D+01 -0.184353D+01  0.843827D+00  0.352608D+01 -0.148748D+02
      4   0.674283D+01 -0.380074D+01  0.449757D+01 -0.880971D+01  0.324110D+01
      5  -0.984001D+01  0.488430D+01 -0.960693D+01  0.659748D+01 -0.155367D+02
      6   0.163316D+02 -0.288537D+01  0.150454D+02 -0.679891D+01  0.828946D+00
                56            57            58            59            60 
      1   0.267785D+01 -0.828692D+01 -0.777574D+01  0.818760D+01  0.286441D+01
      2   0.496217D-01  0.994962D+01  0.716168D+01 -0.427953D+01 -0.281294D+01
      3  -0.272747D+01 -0.166270D+01  0.614052D+00 -0.390806D+01 -0.514669D-01
      4   0.100923D+02 -0.443792D+00  0.128669D+02 -0.864424D+01 -0.261761D+01
      5  -0.473267D+00  0.154175D+02  0.395961D+01 -0.379624D+01 -0.340807D+01
      6  -0.134454D+01  0.718947D+00 -0.225793D+01  0.273876D+01  0.634386D+01
                61            62            63            64            65 
      1  -0.100886D+02 -0.918479D+00  0.255506D+01  0.231075D+01 -0.157732D+01
      2   0.990457D+01  0.743249D-01 -0.135054D+02 -0.675884D+01  0.190605D+00
      3   0.184018D+00  0.844154D+00  0.109503D+02  0.444809D+01  0.138672D+01
      4  -0.278748D+01 -0.154953D+01  0.648004D+00  0.384398D+01  0.524793D+01
      5   0.160326D+02  0.186991D+01 -0.193463D+02  0.943792D+01  0.358937D+01
      6  -0.109578D+01  0.452553D+01  0.110864D+01  0.495226D+01  0.402472D+01
                66            67            68            69            70 
      1  -0.195562D+01 -0.126148D+01 -0.447262D+01 -0.373678D+01 -0.434570D+01
      2  -0.569077D+01  0.309136D+00  0.147540D+01  0.935379D+00 -0.431693D+01
      3   0.764639D+01  0.952345D+00  0.299722D+01  0.280140D+01  0.866263D+01
      4   0.417652D+01  0.474877D+01  0.337920D+01  0.324016D+01  0.265656D+01
      5   0.120543D+02  0.221561D+01  0.321481D+01  0.328602D+01  0.101492D+02
      6   0.536369D+01  0.423430D+01  0.542238D+01  0.880875D+01  0.556544D+01
                71            72            73            74            75 
      1  -0.507424D+01 -0.153301D+02 -0.629603D-01  0.166950D+01 -0.206429D+01
      2  -0.133380D+01 -0.141896D+02 -0.583316D+00  0.897992D-01  0.523774D+00
      3   0.640804D+01  0.295197D+02  0.646276D+00 -0.175930D+01  0.154051D+01
      4   0.336573D+01  0.542028D+01  0.120029D+01  0.320170D+01 -0.143423D+01
      5   0.399993D+01  0.165634D+02 -0.120189D+01 -0.165353D+01  0.577988D+01
      6   0.837594D+01  0.153403D+02 -0.310265D+01  0.488545D-01 -0.396844D+00
                76            77            78            79            80 
      1   0.438472D+01 -0.754409D+01  0.110441D+02 -0.571436D-01  0.676748D+01
      2  -0.257712D+01  0.235521D+01 -0.545165D+00  0.495424D+00  0.121527D+01
      3  -0.180759D+01  0.518888D+01 -0.104990D+02 -0.438281D+00 -0.798275D+01
      4   0.317017D+01  0.609622D+01 -0.438867D+01 -0.267599D+00 -0.174504D+01
      5  -0.381814D+00 -0.713373D+01  0.104937D+02  0.460446D+01  0.465518D+01
      6  -0.123376D+00 -0.129172D+02  0.135790D+02 -0.859927D+00  0.104579D+02
                81            82            83            84            85 
      1  -0.115585D+02  0.699808D+01 -0.218569D+01 -0.117203D+01 -0.213696D+01
      2  -0.618569D+01 -0.564254D+01  0.214983D+01  0.492755D+01  0.199177D+01
      3   0.177442D+02 -0.135554D+01  0.358616D-01 -0.375552D+01  0.145190D+00
      4   0.233205D+01 -0.779104D+01  0.805422D+01  0.712272D+01  0.801679D+01
      5  -0.851598D+01 -0.111759D+02  0.841935D+01  0.144150D+02  0.840681D+01
      6  -0.121922D+02  0.560775D+01 -0.429396D+01 -0.431349D+01 -0.562578D+01
                86            87            88            89            90 
      1  -0.406815D+01 -0.323682D+01  0.167996D+01 -0.197300D+01 -0.451299D+01
      2   0.301495D+01 -0.138601D+01  0.338185D+01 -0.199529D+01 -0.722596D+01
      3   0.105320D+01  0.462283D+01 -0.506181D+01  0.396828D+01  0.117390D+02
      4  -0.122917D+02 -0.959209D+01  0.471017D+01 -0.485599D+01 -0.721130D+01
      5  -0.114014D+02 -0.107166D+02  0.108956D+02 -0.761242D+01 -0.139292D+02
      6   0.108661D+02  0.108001D+02 -0.401189D+01  0.839143D+01  0.890013D+01
                91            92            93            94            95 
      1  -0.173538D+01  0.372469D+01  0.230981D+00  0.145955D+02 -0.462959D+01
      2   0.367816D+01 -0.167352D+01 -0.143061D+01 -0.108082D+02  0.494306D+01
      3  -0.194278D+01 -0.205117D+01  0.119963D+01 -0.378729D+01 -0.313464D+00
      4   0.660142D+01  0.863627D+00 -0.157587D+01  0.174616D+01  0.148127D+02
      5   0.756263D+00 -0.231068D+01 -0.279922D+00 -0.743519D+01 -0.141344D+01
      6  -0.139050D+01 -0.520923D+00  0.207205D+01 -0.175416D+01 -0.483379D+01
                96            97            98            99           100 
      1  -0.324870D+01  0.136109D+01  0.156238D+00 -0.987568D+00  0.116336D+00
      2   0.418024D+01 -0.621999D+00  0.367746D+00 -0.120283D+01 -0.187799D+01
      3  -0.931544D+00 -0.739090D+00 -0.523984D+00  0.219039D+01  0.176166D+01
      4  -0.369877D+01 -0.211235D+01 -0.265592D+01  0.292549D+01 -0.579812D+01
      5   0.739200D+01  0.290211D+01  0.252249D+01 -0.309298D+01  0.250311D+01
      6   0.162036D+01  0.186168D+01  0.260162D+01 -0.320302D+01 -0.553268D+01
               101           102           103           104           105 
      1   0.571213D+01 -0.392972D+00  0.180418D+01 -0.430762D+00  0.156799D+01
      2  -0.889390D+01  0.305677D+00 -0.366701D+01  0.183523D+01 -0.169186D+01
      3   0.318178D+01  0.872945D-01  0.186283D+01 -0.140446D+01  0.123864D+00
      4   0.307946D+01 -0.442602D+01  0.234306D+01 -0.279477D+01  0.130589D+01
      5  -0.223383D+00  0.107422D+01  0.877532D-01  0.101632D+01 -0.102210D+01
      6   0.257293D+01 -0.726140D+01  0.190393D+01 -0.161273D+01  0.215625D+01
               106           107           108           109           110 
      1  -0.172048D+00  0.482170D+01 -0.460186D+01 -0.974716D+00  0.409829D+01
      2  -0.197130D+01 -0.565619D+01 -0.433650D+00  0.264460D+01 -0.733155D+01
      3   0.214335D+01  0.834499D+00  0.503551D+01 -0.166989D+01  0.323326D+01
      4  -0.701037D+01  0.116516D+01 -0.428599D+01 -0.599596D-01  0.536298D+01
      5   0.261105D+01 -0.590873D+00  0.207495D+01 -0.554377D+00  0.113965D+01
      6  -0.492811D+01  0.399403D+01 -0.965862D+01  0.932148D+00 -0.115202D+01
               111           112           113           114           115 
      1   0.176469D+00  0.219891D+01 -0.257734D+02 -0.660780D+01  0.126405D+00
      2  -0.806702D-01 -0.386079D+01  0.449250D+02  0.106371D+02 -0.239128D+00
      3  -0.957985D-01  0.166187D+01 -0.191516D+02 -0.402933D+01  0.112723D+00
      4   0.109052D+01  0.477223D+01  0.380730D+00 -0.841826D-01  0.132654D+01
      5   0.161630D+01 -0.186885D+00  0.124534D+01  0.765616D+00  0.138183D+01
      6  -0.663192D+00 -0.122044D+01  0.144929D+02  0.870905D+01 -0.543114D+00
               116           117           118           119           120 
      1  -0.118604D+02 -0.661754D+01 -0.452266D+01  0.995565D+01  0.380683D+01
      2   0.180437D+02  0.769337D+01  0.540975D+01 -0.836438D+01 -0.311337D+01
      3  -0.618330D+01 -0.107583D+01 -0.887089D+00 -0.159127D+01 -0.693458D+00
      4   0.114965D+01  0.386336D+00  0.896831D+00 -0.352869D+01 -0.828963D+00
      5   0.105953D+01  0.763555D+00 -0.177386D+01  0.144563D+01 -0.609327D+00
      6   0.130353D+02  0.845569D+01  0.267039D+01 -0.612577D+01 -0.290516D+01
               121           122           123           124           125 
      1   0.150792D+02 -0.195519D+02 -0.927921D+01  0.269679D+01 -0.769237D+01
      2  -0.104085D+02  0.205595D+02  0.722521D+01 -0.329556D+00  0.449916D+01
      3  -0.467064D+01 -0.100762D+01  0.205400D+01 -0.236724D+01  0.319321D+01
      4  -0.113776D+01  0.135440D+02  0.611303D+01 -0.151622D+01  0.792680D+01
      5   0.249738D+00  0.357602D+01  0.449715D+01  0.165949D+01  0.224166D+01
      6  -0.410114D+01  0.131556D+02  0.880352D+01 -0.279525D+01  0.100848D+02
               126 
      1  -0.704855D+01
      2   0.327585D+01
      3   0.377269D+01
      4   0.232317D+01
      5   0.372836D+01
      6   0.589393D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:44:18 2021, MaxMem=  5368709120 cpu:            2918.4 elap:             365.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.43183 -19.50740 -19.45788 -14.64270 -10.58443
 Alpha  occ. eigenvalues --  -10.51368 -10.49320  -8.11770  -6.11836  -6.11537
 Alpha  occ. eigenvalues --   -6.11025  -1.24179  -1.15061  -1.06330  -0.94192
 Alpha  occ. eigenvalues --   -0.85785  -0.77438  -0.73286  -0.68270  -0.64245
 Alpha  occ. eigenvalues --   -0.61208  -0.59298  -0.57921  -0.55234  -0.54127
 Alpha  occ. eigenvalues --   -0.51409  -0.48775  -0.44847  -0.44056  -0.42642
 Alpha  occ. eigenvalues --   -0.38725  -0.36257
 Alpha virt. eigenvalues --    0.02761   0.03488   0.04817   0.05438   0.06206
 Alpha virt. eigenvalues --    0.07598   0.08616   0.09226   0.10281   0.11448
 Alpha virt. eigenvalues --    0.12217   0.13146   0.14180   0.15371   0.15815
 Alpha virt. eigenvalues --    0.16297   0.17404   0.18741   0.20388   0.21145
 Alpha virt. eigenvalues --    0.22463   0.22750   0.24183   0.25441   0.25691
 Alpha virt. eigenvalues --    0.26517   0.27453   0.28351   0.28509   0.28821
 Alpha virt. eigenvalues --    0.31227   0.32188   0.33147   0.33613   0.34893
 Alpha virt. eigenvalues --    0.35766   0.36896   0.37694   0.38090   0.39486
 Alpha virt. eigenvalues --    0.40134   0.40191   0.40602   0.41288   0.42391
 Alpha virt. eigenvalues --    0.42927   0.43336   0.43800   0.45176   0.45464
 Alpha virt. eigenvalues --    0.45862   0.47468   0.48888   0.48998   0.50658
 Alpha virt. eigenvalues --    0.51638   0.51980   0.52873   0.53854   0.54178
 Alpha virt. eigenvalues --    0.55266   0.56327   0.56650   0.57118   0.58902
 Alpha virt. eigenvalues --    0.59846   0.61014   0.63169   0.64529   0.65958
 Alpha virt. eigenvalues --    0.66113   0.67325   0.69382   0.71855   0.72251
 Alpha virt. eigenvalues --    0.73883   0.74319   0.75915   0.76949   0.77686
 Alpha virt. eigenvalues --    0.79920   0.81095   0.82167   0.83971   0.85812
 Alpha virt. eigenvalues --    0.87752   0.89781   0.91925   0.93032   0.93814
 Alpha virt. eigenvalues --    0.99098   0.99326   1.00581   1.02097   1.04544
 Alpha virt. eigenvalues --    1.06397   1.09284   1.09498   1.12198   1.12441
 Alpha virt. eigenvalues --    1.15017   1.16534   1.18825   1.19393   1.21527
 Alpha virt. eigenvalues --    1.21923   1.26027   1.26272   1.31144   1.34341
 Alpha virt. eigenvalues --    1.35697   1.38493   1.43350   1.45699   1.47700
 Alpha virt. eigenvalues --    1.52005   1.54844   1.58283   1.59399   1.65956
 Alpha virt. eigenvalues --    1.69080   1.70536   1.73426   1.77831   1.79067
 Alpha virt. eigenvalues --    1.80808   1.83870   1.86375   1.89477   1.91367
 Alpha virt. eigenvalues --    1.92540   1.94205   1.96315   1.98324   2.00846
 Alpha virt. eigenvalues --    2.02730   2.04701   2.06237   2.08876   2.10713
 Alpha virt. eigenvalues --    2.11570   2.13597   2.17034   2.21087   2.22960
 Alpha virt. eigenvalues --    2.24797   2.27334   2.31586   2.35347   2.35857
 Alpha virt. eigenvalues --    2.40042   2.43506   2.44272   2.49450   2.52377
 Alpha virt. eigenvalues --    2.57904   2.63798   2.66635   2.79096   2.90330
 Alpha virt. eigenvalues --    2.91629   2.97810   3.01184   3.03944   3.06787
 Alpha virt. eigenvalues --    3.10295   3.13603   3.14946   3.21605   3.25055
 Alpha virt. eigenvalues --    3.34780   3.43387   3.52542   3.60032   3.67025
 Alpha virt. eigenvalues --    3.88406   4.00278
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.874250   0.282542   0.201269  -0.013880  -0.070671  -0.001787
     2  S    0.282542  15.750669  -0.025448  -0.056132  -0.080080   0.013732
     3  C    0.201269  -0.025448   5.785875   0.134231  -0.486344  -0.010166
     4  N   -0.013880  -0.056132   0.134231   6.994079  -0.105345   0.018945
     5  C   -0.070671  -0.080080  -0.486344  -0.105345   6.121147   0.321398
     6  O   -0.001787   0.013732  -0.010166   0.018945   0.321398   7.920043
     7  O    0.007404   0.003835   0.006259  -0.022777   0.114996   0.048795
     8  H   -0.057338   0.021160   0.398759  -0.014934  -0.044128  -0.009981
     9  H    0.387534  -0.001969   0.032844  -0.005010  -0.056693  -0.015095
    10  H    0.367262  -0.032529   0.055694   0.009523   0.003847   0.005807
    11  H    0.012047   0.002351  -0.062303  -0.002843   0.134627  -0.024008
    12  H   -0.065620   0.027947   0.063451   0.178639   0.029152  -0.008329
    13  H   -0.006078   0.009133   0.116793   0.119337  -0.000047   0.000532
    14  H    0.000645   0.337804  -0.021869   0.002166   0.000489   0.002977
               7          8          9         10         11         12
     1  C    0.007404  -0.057338   0.387534   0.367262   0.012047  -0.065620
     2  S    0.003835   0.021160  -0.001969  -0.032529   0.002351   0.027947
     3  C    0.006259   0.398759   0.032844   0.055694  -0.062303   0.063451
     4  N   -0.022777  -0.014934  -0.005010   0.009523  -0.002843   0.178639
     5  C    0.114996  -0.044128  -0.056693   0.003847   0.134627   0.029152
     6  O    0.048795  -0.009981  -0.015095   0.005807  -0.024008  -0.008329
     7  O    7.878632  -0.001979   0.005422  -0.000354   0.207068  -0.018810
     8  H   -0.001979   0.723744   0.005564  -0.041509  -0.003993   0.018789
     9  H    0.005422   0.005564   0.628839  -0.045036  -0.000827   0.001323
    10  H   -0.000354  -0.041509  -0.045036   0.665533   0.000049  -0.009796
    11  H    0.207068  -0.003993  -0.000827   0.000049   0.483264  -0.018185
    12  H   -0.018810   0.018789   0.001323  -0.009796  -0.018185   0.753406
    13  H    0.012471  -0.031665   0.001249   0.000735  -0.003853  -0.112251
    14  H   -0.002376  -0.001118  -0.014774   0.006302   0.000052  -0.005040
              13         14
     1  C   -0.006078   0.000645
     2  S    0.009133   0.337804
     3  C    0.116793  -0.021869
     4  N    0.119337   0.002166
     5  C   -0.000047   0.000489
     6  O    0.000532   0.002977
     7  O    0.012471  -0.002376
     8  H   -0.031665  -0.001118
     9  H    0.001249  -0.014774
    10  H    0.000735   0.006302
    11  H   -0.003853   0.000052
    12  H   -0.112251  -0.005040
    13  H    0.751441   0.000128
    14  H    0.000128   0.428857
 Mulliken charges:
               1
     1  C    0.082420
     2  S   -0.253014
     3  C   -0.189044
     4  N   -0.236001
     5  C    0.117651
     6  O   -0.262862
     7  O   -0.238586
     8  H    0.038628
     9  H    0.076628
    10  H    0.014472
    11  H    0.276553
    12  H    0.165323
    13  H    0.142075
    14  H    0.265757
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.173520
     2  S    0.012742
     3  C   -0.150416
     4  N    0.071397
     5  C    0.117651
     6  O   -0.262862
     7  O    0.037967
 Electronic spatial extent (au):  <R**2>=            950.1858
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.4041    Y=              4.2607    Z=              1.5959  Tot=              4.7615
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.8333   YY=            -49.2650   ZZ=            -47.1132
   XY=              3.9361   XZ=              0.3158   YZ=              2.9818
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.4295   YY=              2.1388   ZZ=              4.2906
   XY=              3.9361   XZ=              0.3158   YZ=              2.9818
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             12.7687  YYY=             20.7030  ZZZ=              2.5164  XYY=             -5.8112
  XXY=             10.1304  XXZ=              5.4577  XZZ=              1.1771  YZZ=              2.1179
  YYZ=             -1.4974  XYZ=             -1.6879
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -768.7686 YYYY=           -315.3780 ZZZZ=           -183.9331 XXXY=             -1.2929
 XXXZ=             -0.5928 YYYX=              7.3281 YYYZ=             14.4427 ZZZX=             -3.0108
 ZZZY=              1.2525 XXYY=           -181.1362 XXZZ=           -145.6704 YYZZ=            -79.8416
 XXYZ=              1.1573 YYXZ=             -1.2398 ZZXY=              6.1420
 N-N= 3.858531241237D+02 E-N=-2.472310887653D+03  KE= 7.165736676367D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:44:18 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.47114558D-01 1.62828086D+00 5.51659732D-01
 Polarizability= 7.16603778D+01 2.43581861D+00 7.01116046D+01
                 6.18175180D-01 5.03304063D-01 6.28141698D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0433    0.0339        1.4986    1.4956
 2     -0.0433   -0.0339        0.1158    0.1101       -1.1438   -1.1481
 3     -1.4986   -1.4956        4.8007    4.7925       -0.1166   -0.1101
 4     -0.1158   -0.1101        0.0000    0.0000       -1.4982   -1.4956
 5     -3.6569   -3.6444        1.4982    1.4956        0.0376    0.0339
 6      0.1166    0.1101       -0.0376   -0.0339        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1017   -0.1017        4.4868    4.4868
 2     -0.3301   -0.3302       -0.0000    0.0000        4.4868    4.4868
 3     -0.3302   -0.3302       -0.1017   -0.1017        0.0000    0.0000
 4     -0.1017   -0.1017        0.3302    0.3302       -3.4442   -3.4442
 5     -4.4868   -4.4868       14.3774   14.3774       -0.3301   -0.3302
 6    -10.9331  -10.9331        4.4868    4.4868        0.1017    0.1017
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.7124    0.0000        0.8960   -0.1356       -6.5544   -5.9824
 2     -0.2625    0.1356        0.2951   -0.4402        3.9843    4.5923
 3      6.2269    5.9824      -19.7612  -19.1698        1.4111    0.4402
 4      1.2280    0.4402       -0.2801    0.0000        5.0547    5.9824
 5     13.4615   14.5775       -5.2963   -5.9824        1.0103   -0.1356
 6     -0.3731   -0.4402        0.4471    0.1356       -0.7944    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.9095    0.0000        8.0201    8.7648       19.3630   18.6122
 2    -11.9660   -8.7648      -17.3253  -19.9635       16.5850   17.7606
 3    -18.1176  -18.6122       14.5824   13.8509       17.4893   19.9635
 4     21.2214   19.9635       -0.5632    0.0000      -20.8972  -18.6122
 5    -29.7184  -31.6115       16.6075   18.6122        9.8563    8.7648
 6    -21.8631  -19.9635       -7.4299   -8.7648        1.2449    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.5193    1.5403       13.4345   13.6596      -33.2655  -32.4827
 2     31.2108   28.6126       20.6554   22.9266      -34.9014  -32.4827
 3     30.5306   28.6126       11.6076   13.6596      -50.0953  -46.7800
 4    -12.4751   -9.2670      -24.7458  -27.0723       16.6127   18.0240
 5    -14.3148  -14.2973       28.9432   28.1797       24.5899   27.0723
 6    -43.0484  -46.2038       11.4566   14.2973       10.8468    9.2670
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.7064    0.0022    0.0031    0.0038    0.9987    9.8467
 Low frequencies ---   70.4698   93.1565  203.5368
 Diagonal vibrational polarizability:
       32.1487654      17.1374564      15.1913916
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.4663                93.1553               203.5364
 Red. masses --      7.2769                 6.2202                 4.3934
 Frc consts  --      0.0213                 0.0318                 0.1072
 IR Inten    --      1.9776                 4.7155                 1.7073
 RamAct Fr= 1--      1.4603                 0.7389                 0.7691
  Dep-P Fr= 1--      0.7422                 0.7023                 0.1095
  Dep-U Fr= 1--      0.8520                 0.8251                 0.1973
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.0132
 Beta2  Fr= 1--      0.2074                 0.1016                 0.0253
 AlphaG Fr= 1--     -0.0001                -0.0017                 0.0067
 Gamma2 Fr= 1--      0.4818                 0.3576                -0.2352
 Delta2 Fr= 1--      0.2003                 0.1568                -0.0558
 Raman1 Fr= 1--       5.841                  2.955                  3.076
 ROA1   Fr= 1--      52.665                 39.350                -24.366
 CID1   Fr= 1--       9.016                 13.314                 -7.920
 Raman2 Fr= 1--       2.488                  1.219                  0.304
 ROA2   Fr= 1--       9.961                  7.329                 -5.199
 CID2   Fr= 1--       4.003                  6.011                -17.129
 Raman3 Fr= 1--       4.977                  2.439                  0.607
 ROA3   Fr= 1--      52.665                 39.350                -24.366
 CID3   Fr= 1--      10.582                 16.136                -40.138
 RC180  Fr= 1--       0.704                  0.650                 -0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.10  -0.03    -0.02   0.17   0.04     0.06  -0.11   0.13
     2  16     0.04   0.10  -0.10     0.21  -0.16  -0.03     0.20   0.11   0.01
     3   6    -0.00  -0.05   0.07     0.02   0.08   0.09    -0.02   0.01   0.04
     4   7    -0.03  -0.01   0.12     0.10   0.12   0.15    -0.23  -0.10  -0.15
     5   6     0.02  -0.03   0.06    -0.13   0.02  -0.03    -0.05  -0.00   0.03
     6   8     0.26   0.02   0.32    -0.23   0.02  -0.06    -0.12  -0.01  -0.04
     7   8    -0.30  -0.07  -0.28    -0.20  -0.05  -0.13    -0.05  -0.01   0.03
     8   1    -0.05  -0.09   0.10     0.05  -0.02   0.09     0.07   0.18  -0.04
     9   1    -0.01  -0.17  -0.14    -0.12   0.29   0.24     0.15  -0.21  -0.04
    10   1    -0.03  -0.17   0.05    -0.08   0.30  -0.20     0.01  -0.24   0.24
    11   1    -0.37  -0.09  -0.30    -0.08  -0.01  -0.04    -0.08  -0.02  -0.02
    12   1    -0.16   0.10   0.24     0.10   0.22   0.15    -0.25  -0.37  -0.12
    13   1     0.19  -0.02   0.17     0.17   0.10   0.20    -0.39  -0.04  -0.28
    14   1     0.07   0.18  -0.26     0.30  -0.22   0.31     0.28   0.21  -0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    275.5753               308.5053               355.3052
 Red. masses --      2.1175                 1.3259                 1.9779
 Frc consts  --      0.0947                 0.0744                 0.1471
 IR Inten    --     22.5871                21.2824                 1.7027
 RamAct Fr= 1--      0.2027                 0.8350                 0.2399
  Dep-P Fr= 1--      0.7358                 0.5308                 0.6452
  Dep-U Fr= 1--      0.8478                 0.6935                 0.7843
 Alpha2 Fr= 1--      0.0000                 0.0035                 0.0005
 Beta2  Fr= 1--      0.0286                 0.0965                 0.0314
 AlphaG Fr= 1--     -0.0001                -0.0007                -0.0012
 Gamma2 Fr= 1--     -0.1150                -0.0601                -0.1247
 Delta2 Fr= 1--     -0.0988                 0.0382                -0.0685
 Raman1 Fr= 1--       0.811                  3.340                  0.960
 ROA1   Fr= 1--     -14.204                 -4.549                -14.162
 CID1   Fr= 1--     -17.518                 -1.362                -14.758
 Raman2 Fr= 1--       0.344                  1.158                  0.376
 ROA2   Fr= 1--      -1.970                 -1.749                 -2.444
 CID2   Fr= 1--      -5.733                 -1.510                 -6.495
 Raman3 Fr= 1--       0.687                  2.316                  0.753
 ROA3   Fr= 1--     -14.204                 -4.549                -14.162
 CID3   Fr= 1--     -20.663                 -1.964                -18.815
 RC180  Fr= 1--       0.696                  0.387                  0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.12   0.04    -0.04   0.07   0.02     0.02  -0.06  -0.01
     2  16     0.04   0.04  -0.01    -0.01  -0.01   0.02    -0.03  -0.01   0.00
     3   6    -0.02  -0.07   0.04    -0.02  -0.02   0.01     0.02   0.02   0.07
     4   7    -0.01  -0.10  -0.02     0.02  -0.05  -0.05     0.18  -0.06  -0.04
     5   6     0.01  -0.05   0.00    -0.00  -0.03   0.01    -0.00   0.04   0.06
     6   8     0.13  -0.07  -0.06     0.04  -0.05  -0.03    -0.03   0.02  -0.01
     7   8    -0.05   0.09   0.01    -0.03   0.05   0.04    -0.11   0.08  -0.02
     8   1     0.00  -0.04   0.02    -0.01  -0.01  -0.00    -0.06   0.07   0.09
     9   1    -0.29   0.21   0.20    -0.09   0.12   0.11     0.10  -0.10  -0.09
    10   1    -0.02   0.30  -0.13    -0.04   0.15  -0.08    -0.04  -0.15   0.07
    11   1    -0.14   0.08   0.09    -0.17   0.03   0.02    -0.02   0.12   0.20
    12   1     0.08  -0.22  -0.11    -0.14   0.07   0.11     0.53  -0.35  -0.39
    13   1    -0.16  -0.08  -0.09     0.34  -0.00  -0.05    -0.38  -0.02  -0.22
    14   1    -0.34  -0.38   0.48     0.57   0.50  -0.38     0.08   0.12  -0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    373.1385               497.8906               535.9470
 Red. masses --      1.4188                 3.9946                 5.8759
 Frc consts  --      0.1164                 0.5834                 0.9944
 IR Inten    --     11.6605                 6.3859                 2.0086
 RamAct Fr= 1--      0.7118                 2.2641                 3.4448
  Dep-P Fr= 1--      0.3279                 0.5126                 0.2624
  Dep-U Fr= 1--      0.4938                 0.6777                 0.4157
 Alpha2 Fr= 1--      0.0067                 0.0105                 0.0394
 Beta2  Fr= 1--      0.0586                 0.2557                 0.2387
 AlphaG Fr= 1--      0.0110                 0.0195                -0.0202
 Gamma2 Fr= 1--     -0.4148                -0.8339                 0.4475
 Delta2 Fr= 1--     -0.0943                -0.1777                 0.0665
 Raman1 Fr= 1--       2.847                  9.056                 13.779
 ROA1   Fr= 1--     -42.839                -85.737                 45.088
 CID1   Fr= 1--     -15.045                 -9.467                  3.272
 Raman2 Fr= 1--       0.703                  3.069                  2.864
 ROA2   Fr= 1--      -9.202                -18.592                 10.208
 CID2   Fr= 1--     -13.089                 -6.058                  3.564
 Raman3 Fr= 1--       1.406                  6.138                  5.728
 ROA3   Fr= 1--     -42.839                -85.737                 45.088
 CID3   Fr= 1--     -30.467                -13.969                  7.871
 RC180  Fr= 1--      -0.012                  0.355                 -0.169
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.01     0.08   0.06  -0.02     0.07   0.06  -0.02
     2  16     0.01   0.00  -0.01    -0.08  -0.03  -0.07    -0.03  -0.02  -0.02
     3   6     0.00   0.01   0.00     0.19   0.04   0.24     0.01   0.25   0.09
     4   7     0.06  -0.03  -0.08    -0.09  -0.14   0.01    -0.06   0.25  -0.06
     5   6    -0.02   0.00   0.02     0.18   0.09   0.15     0.03  -0.10   0.20
     6   8    -0.04  -0.00  -0.00    -0.10   0.06  -0.07     0.18  -0.23  -0.19
     7   8    -0.05   0.08   0.05     0.03  -0.03  -0.09    -0.13  -0.14   0.08
     8   1    -0.01   0.04   0.00     0.02   0.18   0.28    -0.12   0.44   0.10
     9   1     0.15  -0.14  -0.13    -0.17   0.13   0.10     0.32  -0.07  -0.24
    10   1    -0.00  -0.19   0.12     0.08   0.21  -0.22    -0.10  -0.23   0.18
    11   1    -0.26   0.05   0.00    -0.02  -0.05  -0.19     0.03  -0.12   0.07
    12   1    -0.19   0.21   0.17    -0.40  -0.33   0.33    -0.05   0.13  -0.06
    13   1     0.68   0.06  -0.09     0.17   0.00  -0.16    -0.17   0.26  -0.09
    14   1    -0.30  -0.27   0.19    -0.12  -0.04  -0.11    -0.07  -0.06   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    569.0333               664.9503               761.5959
 Red. masses --      3.6221                 4.0267                 5.8503
 Frc consts  --      0.6910                 1.0490                 1.9993
 IR Inten    --      3.7325                 0.6373                 6.8993
 RamAct Fr= 1--      2.5063                16.3690                 5.5124
  Dep-P Fr= 1--      0.4013                 0.1870                 0.0617
  Dep-U Fr= 1--      0.5727                 0.3150                 0.1162
 Alpha2 Fr= 1--      0.0185                 0.2301                 0.1059
 Beta2  Fr= 1--      0.2392                 0.8594                 0.1068
 AlphaG Fr= 1--      0.0150                -0.1580                 0.0336
 Gamma2 Fr= 1--      0.2717                 1.3691                 0.3766
 Delta2 Fr= 1--     -0.2767                 0.2943                 0.2251
 Raman1 Fr= 1--      10.025                 65.476                 22.049
 ROA1   Fr= 1--      17.230                140.852                 43.353
 CID1   Fr= 1--       1.719                  2.151                  1.966
 Raman2 Fr= 1--       2.871                 10.313                  1.282
 ROA2   Fr= 1--       8.734                 30.503                  7.237
 CID2   Fr= 1--       3.042                  2.958                  5.647
 Raman3 Fr= 1--       5.742                 20.626                  2.563
 ROA3   Fr= 1--      17.230                140.852                 43.353
 CID3   Fr= 1--       3.001                  6.829                 16.914
 RC180  Fr= 1--       0.145                 -0.370                 -0.768
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.07  -0.16     0.09   0.09   0.35    -0.17  -0.04   0.10
     2  16    -0.01  -0.01   0.01    -0.09  -0.04  -0.15    -0.00   0.01  -0.01
     3   6     0.16  -0.06  -0.11     0.09   0.02   0.02    -0.03  -0.02  -0.06
     4   7    -0.08   0.05   0.03     0.02   0.02  -0.01    -0.02   0.14  -0.04
     5   6    -0.00  -0.11  -0.01    -0.09  -0.05  -0.13     0.35  -0.16   0.11
     6   8    -0.08  -0.10   0.10     0.02  -0.01   0.06    -0.18  -0.18   0.09
     7   8    -0.10   0.13   0.08     0.03   0.03   0.03     0.10   0.16  -0.20
     8   1     0.20  -0.11  -0.11     0.49  -0.04  -0.15    -0.21   0.21  -0.03
     9   1     0.12   0.16  -0.01     0.21  -0.11   0.03    -0.14  -0.10   0.01
    10   1     0.32   0.21  -0.28     0.10  -0.07   0.56    -0.09  -0.07   0.23
    11   1    -0.29   0.13   0.23    -0.06   0.02   0.00    -0.23   0.17   0.26
    12   1    -0.13  -0.06   0.08    -0.02  -0.09   0.04     0.10   0.26  -0.16
    13   1    -0.40  -0.11   0.21    -0.11   0.01  -0.01    -0.04   0.08   0.06
    14   1    -0.12  -0.00  -0.20     0.24   0.05   0.22     0.24   0.04   0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    785.0366               836.5683               854.0571
 Red. masses --      1.4107                 2.6045                 1.3488
 Frc consts  --      0.5122                 1.0739                 0.5797
 IR Inten    --      0.6145                35.0444               107.8109
 RamAct Fr= 1--      7.0541                 3.3391                 0.9087
  Dep-P Fr= 1--      0.1217                 0.3734                 0.4135
  Dep-U Fr= 1--      0.2169                 0.5438                 0.5851
 Alpha2 Fr= 1--      0.1171                 0.0271                 0.0064
 Beta2  Fr= 1--      0.2550                 0.3026                 0.0886
 AlphaG Fr= 1--      0.1019                -0.0707                 0.0413
 Gamma2 Fr= 1--     -0.1954                -1.7458                -0.5204
 Delta2 Fr= 1--     -0.0307                -0.3377                -0.3199
 Raman1 Fr= 1--      28.216                 13.356                  3.635
 ROA1   Fr= 1--     -19.746               -178.403                -60.194
 CID1   Fr= 1--      -0.700                -13.357                -16.561
 Raman2 Fr= 1--       3.061                  3.631                  1.063
 ROA2   Fr= 1--      -4.444                -39.198                 -9.930
 CID2   Fr= 1--      -1.452                -10.794                 -9.338
 Raman3 Fr= 1--       6.121                  7.263                  2.127
 ROA3   Fr= 1--     -19.746               -178.403                -60.194
 CID3   Fr= 1--      -3.226                -24.564                -28.303
 RC180  Fr= 1--      -0.566                  0.088                  0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.12   0.12     0.06  -0.01   0.08     0.04   0.03  -0.01
     2  16     0.00   0.00  -0.02    -0.02   0.01  -0.03    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.01    -0.03  -0.12  -0.18    -0.03   0.06   0.02
     4   7     0.01   0.07  -0.04    -0.01  -0.03  -0.01    -0.08  -0.06   0.05
     5   6    -0.00   0.00   0.01     0.08   0.11   0.18    -0.02  -0.03  -0.05
     6   8     0.00  -0.00  -0.00     0.00   0.07  -0.07     0.01  -0.02   0.03
     7   8    -0.01  -0.00   0.01    -0.11  -0.06   0.02     0.00   0.01  -0.05
     8   1     0.07   0.08  -0.06    -0.13   0.03  -0.15    -0.02   0.07   0.01
     9   1    -0.19   0.14   0.53     0.03   0.01   0.11     0.09   0.03  -0.02
    10   1    -0.05   0.19  -0.36     0.34   0.17   0.12    -0.00  -0.00  -0.01
    11   1     0.05   0.01   0.05     0.39   0.05   0.30     0.48   0.17   0.64
    12   1     0.06   0.13  -0.08     0.00   0.28  -0.03     0.19   0.04  -0.20
    13   1     0.05   0.06  -0.01     0.05  -0.24   0.32     0.39   0.14  -0.19
    14   1    -0.38  -0.08  -0.51     0.24   0.05   0.33    -0.06  -0.01  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    898.3840               971.3966              1049.6172
 Red. masses --      1.4575                 1.5020                 1.8482
 Frc consts  --      0.6931                 0.8350                 1.1997
 IR Inten    --     78.0786                33.5542                30.8994
 RamAct Fr= 1--      1.4712                 2.8653                 1.2451
  Dep-P Fr= 1--      0.7476                 0.7496                 0.5036
  Dep-U Fr= 1--      0.8556                 0.8569                 0.6699
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0060
 Beta2  Fr= 1--      0.2098                 0.4092                 0.1390
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0132
 Gamma2 Fr= 1--     -1.2966                 2.5123                -0.9360
 Delta2 Fr= 1--     -0.5977                 0.7751                 0.0926
 Raman1 Fr= 1--       5.885                 11.461                  4.980
 ROA1   Fr= 1--    -143.601                265.985                -86.888
 CID1   Fr= 1--     -24.402                 23.208                -17.446
 Raman2 Fr= 1--       2.517                  4.910                  1.668
 ROA2   Fr= 1--     -26.337                 54.095                -23.204
 CID2   Fr= 1--     -10.462                 11.017                -13.910
 Raman3 Fr= 1--       5.035                  9.821                  3.336
 ROA3   Fr= 1--    -143.601                265.985                -86.888
 CID3   Fr= 1--     -28.521                 27.085                -26.044
 RC180  Fr= 1--       0.711                  0.714                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.03    -0.02  -0.12  -0.04    -0.14   0.06   0.01
     2  16     0.00   0.00   0.01    -0.02   0.01   0.00     0.02  -0.01   0.02
     3   6     0.08  -0.02   0.06     0.10  -0.02   0.04     0.16   0.01  -0.09
     4   7     0.06   0.06  -0.10    -0.05   0.07   0.00    -0.05  -0.03   0.04
     5   6    -0.03  -0.00  -0.03    -0.02   0.00  -0.04     0.05   0.02   0.03
     6   8     0.01   0.01   0.02     0.01   0.01   0.00    -0.00   0.03  -0.02
     7   8    -0.02   0.00  -0.01    -0.03  -0.02   0.04    -0.05  -0.02   0.04
     8   1     0.10  -0.06   0.05     0.15  -0.06   0.02     0.55   0.04  -0.28
     9   1    -0.16  -0.06  -0.07    -0.37  -0.07   0.07    -0.21  -0.17  -0.33
    10   1    -0.10  -0.06  -0.00     0.20   0.13  -0.16    -0.29  -0.17   0.16
    11   1     0.46   0.14   0.47    -0.06  -0.02  -0.00    -0.03  -0.01   0.01
    12   1    -0.46  -0.08   0.39     0.21  -0.01  -0.23     0.16   0.05  -0.16
    13   1    -0.20  -0.11   0.14     0.21   0.28  -0.29     0.12  -0.02   0.04
    14   1     0.03  -0.00   0.08     0.37   0.09   0.50    -0.20  -0.04  -0.32
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1107.3356              1164.9029              1216.3142
 Red. masses --      1.8300                 1.4600                 2.4714
 Frc consts  --      1.3221                 1.1673                 2.1542
 IR Inten    --     13.5247                 7.8250                15.5110
 RamAct Fr= 1--      1.6193                 2.2541                 4.2770
  Dep-P Fr= 1--      0.4915                 0.6096                 0.4518
  Dep-U Fr= 1--      0.6591                 0.7574                 0.6224
 Alpha2 Fr= 1--      0.0083                 0.0058                 0.0260
 Beta2  Fr= 1--      0.1779                 0.2846                 0.4437
 AlphaG Fr= 1--      0.0107                -0.0179                 0.0285
 Gamma2 Fr= 1--      0.5195                 2.0874                -2.0073
 Delta2 Fr= 1--     -0.2151                 0.4335                -0.7041
 Raman1 Fr= 1--       6.477                  9.017                 17.108
 ROA1   Fr= 1--      42.990                214.258               -215.228
 CID1   Fr= 1--       6.637                 23.763                -12.581
 Raman2 Fr= 1--       2.134                  3.415                  5.324
 ROA2   Fr= 1--      14.190                 46.629                -42.542
 CID2   Fr= 1--       6.648                 13.655                 -7.991
 Raman3 Fr= 1--       4.269                  6.829                 10.648
 ROA3   Fr= 1--      42.990                214.258               -215.228
 CID3   Fr= 1--      10.071                 31.373                -20.213
 RC180  Fr= 1--       0.318                  0.515                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.09  -0.02     0.05   0.03  -0.01    -0.02  -0.02  -0.00
     2  16    -0.01   0.02  -0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
     3   6     0.04   0.18  -0.06    -0.01  -0.07   0.11     0.02   0.02  -0.08
     4   7     0.02  -0.11   0.05    -0.02   0.00  -0.06     0.01   0.01   0.02
     5   6    -0.05  -0.02   0.00    -0.09   0.00   0.02    -0.18   0.03   0.22
     6   8     0.01  -0.04   0.01     0.01  -0.02   0.01     0.00  -0.10   0.01
     7   8     0.02   0.03  -0.01     0.04   0.03  -0.03     0.06   0.10  -0.09
     8   1     0.15   0.52  -0.19     0.04   0.42  -0.03     0.20  -0.42  -0.05
     9   1     0.05   0.08   0.24    -0.40  -0.16  -0.27    -0.04  -0.03  -0.02
    10   1    -0.23  -0.05  -0.30     0.16   0.05   0.08     0.19   0.08   0.08
    11   1     0.02   0.01  -0.07     0.09   0.01  -0.15     0.49   0.08  -0.44
    12   1    -0.03   0.08   0.09     0.17   0.45  -0.25    -0.05  -0.26   0.09
    13   1    -0.08  -0.31   0.33    -0.00  -0.23   0.31     0.11   0.18  -0.23
    14   1     0.20   0.04   0.33    -0.03   0.00  -0.09    -0.03  -0.01  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1239.5727              1281.8524              1327.7968
 Red. masses --      1.3059                 1.5389                 1.2748
 Frc consts  --      1.1822                 1.4898                 1.3242
 IR Inten    --      2.1128                 5.0482                28.5637
 RamAct Fr= 1--      5.4455                 2.8097                 4.3858
  Dep-P Fr= 1--      0.7497                 0.7500                 0.3321
  Dep-U Fr= 1--      0.8570                 0.8571                 0.4986
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0408
 Beta2  Fr= 1--      0.7778                 0.4014                 0.3645
 AlphaG Fr= 1--      0.0004                 0.0001                 0.0113
 Gamma2 Fr= 1--     -1.9071                 1.9011                -1.1412
 Delta2 Fr= 1--      1.1974                -0.6557                -0.5260
 Raman1 Fr= 1--      21.782                 11.239                 17.543
 ROA1   Fr= 1--    -144.762                161.518               -126.390
 CID1   Fr= 1--      -6.646                 14.372                 -7.205
 Raman2 Fr= 1--       9.333                  4.817                  4.374
 ROA2   Fr= 1--     -55.349                 50.871                -23.182
 CID2   Fr= 1--      -5.930                 10.562                 -5.300
 Raman3 Fr= 1--      18.666                  9.633                  8.747
 ROA3   Fr= 1--    -144.762                161.518               -126.390
 CID3   Fr= 1--      -7.755                 16.767                -14.449
 RC180  Fr= 1--       0.714                  0.714                 -0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.02   0.02    -0.11   0.00  -0.03    -0.07  -0.04  -0.08
     2  16     0.01  -0.01   0.00     0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   6     0.07   0.07  -0.07     0.14  -0.08   0.04    -0.08   0.02   0.07
     4   7     0.01  -0.02   0.03    -0.05   0.01  -0.03     0.01  -0.00  -0.00
     5   6    -0.01  -0.01  -0.05    -0.05   0.00  -0.00     0.02   0.00   0.01
     6   8     0.01  -0.01   0.01     0.00  -0.00   0.01     0.00   0.01  -0.01
     7   8    -0.01   0.00   0.02     0.01   0.01   0.00     0.01  -0.02  -0.01
     8   1    -0.52   0.28   0.16    -0.27   0.01   0.22     0.56   0.07  -0.25
     9   1    -0.22  -0.10  -0.08     0.69   0.26   0.30     0.25   0.15   0.18
    10   1     0.54   0.24   0.33    -0.03  -0.06   0.14     0.55   0.19   0.28
    11   1    -0.02  -0.00   0.00     0.09   0.01  -0.12    -0.17  -0.02   0.17
    12   1    -0.06  -0.14   0.10     0.15   0.21  -0.22    -0.03   0.04   0.04
    13   1    -0.01   0.01  -0.02     0.07  -0.10   0.14    -0.06  -0.01   0.00
    14   1    -0.11  -0.02  -0.19     0.00   0.00   0.00    -0.05  -0.01  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1395.6630              1415.3336              1456.0159
 Red. masses --      1.3078                 1.6732                 1.0892
 Frc consts  --      1.5009                 1.9748                 1.3605
 IR Inten    --      9.7749               393.7293                18.6735
 RamAct Fr= 1--      4.4058                 2.7334                 6.4177
  Dep-P Fr= 1--      0.7498                 0.1782                 0.7209
  Dep-U Fr= 1--      0.8570                 0.3024                 0.8378
 Alpha2 Fr= 1--      0.0000                 0.0393                 0.0032
 Beta2  Fr= 1--      0.6293                 0.1378                 0.8961
 AlphaG Fr= 1--      0.0006                -0.0084                -0.0035
 Gamma2 Fr= 1--      2.2067                 0.4626                -0.2013
 Delta2 Fr= 1--     -0.5560                 0.3295                -0.1328
 Raman1 Fr= 1--      17.623                 10.934                 25.671
 ROA1   Fr= 1--     194.050                 54.953                -23.572
 CID1   Fr= 1--      11.011                  5.026                 -0.918
 Raman2 Fr= 1--       7.552                  1.653                 10.754
 ROA2   Fr= 1--      57.409                  8.467                 -3.767
 CID2   Fr= 1--       7.602                  5.121                 -0.350
 Raman3 Fr= 1--      15.103                  3.307                 21.507
 ROA3   Fr= 1--     194.050                 54.953                -23.572
 CID3   Fr= 1--      12.848                 16.619                 -1.096
 RC180  Fr= 1--       0.714                 -0.395                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.02     0.05   0.02  -0.06
     2  16    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.02  -0.14  -0.01    -0.05   0.04   0.04     0.00  -0.01  -0.02
     4   7     0.03   0.04   0.05     0.00  -0.02  -0.01     0.00   0.00   0.01
     5   6    -0.01   0.00  -0.01     0.13  -0.00  -0.10    -0.01  -0.01   0.01
     6   8    -0.00  -0.00   0.01    -0.02  -0.04   0.03     0.00   0.01  -0.00
     7   8    -0.01   0.01   0.01    -0.09   0.04   0.07     0.00  -0.00  -0.00
     8   1     0.02   0.75  -0.25     0.11  -0.12   0.01    -0.04   0.05  -0.02
     9   1     0.18   0.02  -0.02    -0.04   0.04   0.06    -0.41   0.32   0.47
    10   1    -0.09  -0.02  -0.07     0.11   0.00   0.09    -0.11  -0.49   0.49
    11   1     0.18   0.02  -0.14     0.69   0.07  -0.63    -0.02  -0.00   0.02
    12   1    -0.09  -0.26   0.18     0.02   0.13  -0.03    -0.01  -0.03   0.02
    13   1     0.03   0.25  -0.28    -0.01  -0.04   0.01     0.01   0.03  -0.03
    14   1     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.00   0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1651.5691              1833.7569              2672.3617
 Red. masses --      1.0930                 9.6526                 1.0383
 Frc consts  --      1.7566                19.1239                 4.3687
 IR Inten    --     34.5368               275.0958                 0.4201
 RamAct Fr= 1--      3.7404                10.3811               103.5870
  Dep-P Fr= 1--      0.7448                 0.2293                 0.1676
  Dep-U Fr= 1--      0.8537                 0.3730                 0.2871
 Alpha2 Fr= 1--      0.0003                 0.1303                 1.5310
 Beta2  Fr= 1--      0.5322                 0.6454                 4.9558
 AlphaG Fr= 1--     -0.0034                 0.1721                 0.3763
 Gamma2 Fr= 1--      0.1477                 1.6251                 4.2878
 Delta2 Fr= 1--     -0.1960                 0.4456                 2.3836
 Raman1 Fr= 1--      14.961                 41.525                414.348
 ROA1   Fr= 1--       7.907                170.269                487.900
 CID1   Fr= 1--       0.528                  4.100                  1.178
 Raman2 Fr= 1--       6.387                  7.745                 59.470
 ROA2   Fr= 1--       5.113                 35.438                 83.837
 CID2   Fr= 1--       0.801                  4.576                  1.410
 Raman3 Fr= 1--      12.773                 15.489                118.940
 ROA3   Fr= 1--       7.907                170.269                487.900
 CID3   Fr= 1--       0.619                 10.993                  4.102
 RC180  Fr= 1--       0.707                 -0.254                 -0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     2  16     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.03  -0.01
     3   6     0.03  -0.00  -0.01     0.01  -0.04  -0.00     0.00   0.00   0.00
     4   7     0.02  -0.07   0.03     0.00  -0.01   0.00    -0.00   0.00  -0.00
     5   6    -0.01  -0.00   0.01     0.03   0.70  -0.17     0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.02  -0.43   0.10     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.02  -0.07   0.00    -0.00  -0.00   0.00
     8   1    -0.03  -0.03   0.02    -0.01   0.02  -0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.05   0.04   0.02    -0.00  -0.00   0.00
    10   1    -0.02  -0.01  -0.01    -0.07  -0.07   0.03     0.01  -0.01  -0.01
    11   1    -0.01  -0.00   0.03    -0.39   0.02   0.34    -0.00  -0.00   0.00
    12   1    -0.13   0.70   0.13     0.00   0.03  -0.01     0.00  -0.00   0.00
    13   1    -0.41   0.24  -0.49    -0.03  -0.02   0.01     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.03    -0.53   0.80   0.28
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3029.0107              3076.3473              3138.2037
 Red. masses --      1.0823                 1.0626                 1.1031
 Frc consts  --      5.8507                 5.9248                 6.4009
 IR Inten    --     10.0562                13.7054                 1.1267
 RamAct Fr= 1--    111.0718               126.3573                57.5881
  Dep-P Fr= 1--      0.2694                 0.0748                 0.5774
  Dep-U Fr= 1--      0.4244                 0.1392                 0.7321
 Alpha2 Fr= 1--      1.2461                 2.3520                 0.1867
 Beta2  Fr= 1--      7.8568                 2.9309                 7.0268
 AlphaG Fr= 1--      0.1657                -0.3512                -0.3836
 Gamma2 Fr= 1--     -0.3442                 4.7107                -5.3219
 Delta2 Fr= 1--      0.6347                -0.2281                -0.0067
 Raman1 Fr= 1--     444.287                505.429                230.352
 ROA1   Fr= 1--     -12.730                444.924               -511.118
 CID1   Fr= 1--      -0.029                  0.880                 -2.219
 Raman2 Fr= 1--      94.282                 35.171                 84.322
 ROA2   Fr= 1--     -13.337                114.881               -127.673
 CID2   Fr= 1--      -0.141                  3.266                 -1.514
 Raman3 Fr= 1--     188.564                 70.343                168.644
 ROA3   Fr= 1--     -12.730                444.924               -511.118
 CID3   Fr= 1--      -0.068                  6.325                 -3.031
 RC180  Fr= 1--      -0.151                 -0.722                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.04  -0.02  -0.06     0.02  -0.09   0.02
     2  16     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.03  -0.02  -0.07    -0.00  -0.00  -0.01     0.00  -0.00   0.00
     4   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.41   0.22   0.87     0.05   0.03   0.10    -0.00  -0.00  -0.01
     9   1    -0.01   0.05  -0.03     0.03  -0.40   0.24    -0.04   0.74  -0.48
    10   1     0.05  -0.07  -0.05    -0.47   0.60   0.43    -0.25   0.31   0.23
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    12   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    13   1     0.00  -0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3440.0024              3467.0433              3575.8782
 Red. masses --      1.0631                 1.0553                 1.0886
 Frc consts  --      7.4122                 7.4739                 8.2015
 IR Inten    --    223.0207                29.2497                15.1602
 RamAct Fr= 1--     79.8200                46.3308                64.0766
  Dep-P Fr= 1--      0.0474                 0.0958                 0.3945
  Dep-U Fr= 1--      0.0905                 0.1749                 0.5658
 Alpha2 Fr= 1--      1.5866                 0.8195                 0.4840
 Beta2  Fr= 1--      1.2035                 1.3507                 6.0423
 AlphaG Fr= 1--      0.1762                -0.4631                 0.3256
 Gamma2 Fr= 1--     -1.4015                 7.5459                -2.9819
 Delta2 Fr= 1--     -0.2515                 2.3820                -2.7281
 Raman1 Fr= 1--     319.280                185.323                256.307
 ROA1   Fr= 1--    -142.587                800.629               -373.561
 CID1   Fr= 1--      -0.447                  4.320                 -1.457
 Raman2 Fr= 1--      14.442                 16.209                 72.508
 ROA2   Fr= 1--     -31.623                162.045                -49.742
 CID2   Fr= 1--      -2.190                  9.997                 -0.686
 Raman3 Fr= 1--      28.885                 32.417                145.015
 ROA3   Fr= 1--    -142.587                800.629               -373.561
 CID3   Fr= 1--      -4.936                 24.698                 -2.576
 RC180  Fr= 1--      -0.819                 -0.650                  0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2  16     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   7     0.01  -0.01   0.01    -0.04   0.02  -0.03    -0.01  -0.06  -0.05
     5   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.01  -0.06   0.01     0.00  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
     9   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   1    -0.13   0.93  -0.13    -0.04   0.30  -0.04     0.00  -0.02   0.00
    12   1    -0.19  -0.01  -0.20     0.60   0.03   0.63     0.28  -0.00   0.26
    13   1    -0.01   0.11   0.08     0.02  -0.31  -0.20    -0.10   0.77   0.50
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   584.363651138.252301369.74446
           X            0.99958   0.02619  -0.01219
           Y           -0.02594   0.99946   0.02040
           Z            0.01272  -0.02008   0.99972
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14822     0.07609     0.06323
 Rotational constants (GHZ):           3.08839     1.58554     1.31758
 Zero-point vibrational energy     284670.1 (Joules/Mol)
                                   68.03778 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    101.39   134.03   292.84   396.49   443.87
          (Kelvin)            511.21   536.86   716.35   771.11   818.71
                              956.72  1095.77  1129.49  1203.64  1228.80
                             1292.57  1397.62  1510.17  1593.21  1676.04
                             1750.00  1783.47  1844.30  1910.40  2008.05
                             2036.35  2094.88  2376.24  2638.37  3844.93
                             4358.07  4426.18  4515.18  4949.40  4988.30
                             5144.89
 
 Zero-point correction=                           0.108425 (Hartree/Particle)
 Thermal correction to Energy=                    0.116188
 Thermal correction to Enthalpy=                  0.117132
 Thermal correction to Gibbs Free Energy=         0.075757
 Sum of electronic and zero-point Energies=           -722.021435
 Sum of electronic and thermal Energies=              -722.013672
 Sum of electronic and thermal Enthalpies=            -722.012728
 Sum of electronic and thermal Free Energies=         -722.054102
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.909             27.928             87.080
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.301
 Vibrational             71.131             21.966             18.493
 Vibration     1          0.598              1.968              4.140
 Vibration     2          0.602              1.954              3.593
 Vibration     3          0.639              1.835              2.101
 Vibration     4          0.677              1.719              1.561
 Vibration     5          0.698              1.658              1.370
 Vibration     6          0.731              1.564              1.143
 Vibration     7          0.745              1.527              1.067
 Vibration     8          0.853              1.255              0.663
 Vibration     9          0.891              1.171              0.574
 Vibration    10          0.925              1.098              0.506
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.142598D-34        -34.845886        -80.235618
 Total V=0       0.106208D+16         15.026156         34.599003
 Vib (Bot)       0.797534D-48        -48.098251       -110.750315
 Vib (Bot)    1  0.292664D+01          0.466369          1.073855
 Vib (Bot)    2  0.220589D+01          0.343583          0.791129
 Vib (Bot)    3  0.978319D+00         -0.009520         -0.021920
 Vib (Bot)    4  0.699292D+00         -0.155342         -0.357687
 Vib (Bot)    5  0.613462D+00         -0.212212         -0.488637
 Vib (Bot)    6  0.517473D+00         -0.286112         -0.658798
 Vib (Bot)    7  0.486864D+00         -0.312592         -0.719770
 Vib (Bot)    8  0.330716D+00         -0.480545         -1.106496
 Vib (Bot)    9  0.296748D+00         -0.527612         -1.214872
 Vib (Bot)   10  0.270726D+00         -0.567470         -1.306648
 Vib (V=0)       0.594007D+02          1.773791          4.084306
 Vib (V=0)    1  0.346904D+01          0.540210          1.243879
 Vib (V=0)    2  0.276184D+01          0.441199          1.015898
 Vib (V=0)    3  0.159868D+01          0.203763          0.469181
 Vib (V=0)    4  0.135966D+01          0.133429          0.307232
 Vib (V=0)    5  0.129141D+01          0.111065          0.255738
 Vib (V=0)    6  0.121957D+01          0.086206          0.198497
 Vib (V=0)    7  0.119788D+01          0.078413          0.180553
 Vib (V=0)    8  0.109948D+01          0.041186          0.094835
 Vib (V=0)    9  0.108143D+01          0.033998          0.078283
 Vib (V=0)   10  0.106859D+01          0.028810          0.066338
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.341685D+06          5.533626         12.741645
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3   33          3 3 3            2                            1      1      111 1 111 1 1 1                                     
     5   44          1 0 0            6                            8      6      443 3 222 1 1 0  9  88877   6  55 4   33 32 2       
     7   64          3 7 2            7                            3      5      519 2 841 6 0 5  7  95386   6  63 9   75 07 0   97  
     6   70          8 6 9            2                            4      2      656 8 206 5 7 0  1  84752   5  96 8   35 96 4   30  
 
     X   XX          X X X            X                            X      X      XXX X XXX X X X  X  XXXXX   X  XX X   XX XX X   XX  
          X                                                        X      X       X            X  X  XXX                             
          X                                                        X              X                  XX                              
          X                                                        X              X                  XX                              
          X                                                        X              X                   X                              
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009784   -0.000012703    0.000024141
      2       16          -0.000010683   -0.000002410   -0.000007852
      3        6          -0.000005456    0.000026473   -0.000032166
      4        7           0.000020671   -0.000029716    0.000024212
      5        6           0.000059206    0.000058794   -0.000084195
      6        8          -0.000006378   -0.000036015    0.000030193
      7        8          -0.000061307   -0.000029170    0.000042898
      8        1          -0.000006865   -0.000003132    0.000005992
      9        1           0.000008251    0.000006710   -0.000006944
     10        1          -0.000004315    0.000003253   -0.000003995
     11        1           0.000014168    0.000002391    0.000005921
     12        1          -0.000015161    0.000009488    0.000002767
     13        1          -0.000004213    0.000012087    0.000001160
     14        1           0.000002297   -0.000006051   -0.000002131
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084195 RMS     0.000026055
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.783543D+02  0.299120D+01 -0.677791D-01
      2   0.299120D+01  0.760581D+02 -0.220100D+00
      3  -0.677791D-01 -0.220100D+00  0.687694D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.623315D+00 -0.144072D+01 -0.364838D+01
      2  -0.171715D+02 -0.825699D+01 -0.296595D+02
      3   0.124132D+02  0.969595D+01  0.754875D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.622585D+02 -0.178558D+02 -0.348174D+02
      2   0.318994D+02  0.127850D+02  0.119626D+02
      3   0.303591D+02  0.507077D+01  0.228548D+02
      4  -0.178532D+01 -0.136246D+02 -0.129589D+02
      5  -0.234320D+02 -0.146515D+02 -0.422371D+02
      6  -0.225423D+01  0.905067D+01  0.118742D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.627812D+00 -0.115458D+01  0.243226D+01 -0.107912D+01  0.108497D+01
      2  -0.115458D+01  0.120021D+01  0.257907D+01  0.108497D+01  0.236546D+00
      3   0.243226D+01  0.257907D+01  0.490064D+01  0.261744D+01 -0.337726D+01
                 6             7             8             9            10 
      1   0.261744D+01  0.474991D+01  0.318487D+01  0.474484D+01 -0.990140D+01
      2  -0.337726D+01  0.318487D+01 -0.115674D+01  0.168491D+01  0.364644D+00
      3   0.276055D+01  0.474484D+01  0.168491D+01  0.307447D+01 -0.326603D+01
                11            12            13            14            15 
      1   0.364644D+00 -0.326603D+01  0.228609D+01 -0.464443D+01 -0.956136D+00
      2  -0.452625D+01 -0.896057D+00 -0.464443D+01  0.279277D+01  0.528964D-01
      3  -0.896057D+00 -0.514209D+01 -0.956136D+00  0.528964D-01  0.466435D+00
                16            17            18            19            20 
      1  -0.422088D+01 -0.180930D+01 -0.620915D+01  0.676088D+00  0.239755D+01
      2  -0.180930D+01  0.399063D+00 -0.765041D+00  0.239755D+01 -0.123032D+01
      3  -0.620915D+01 -0.765041D+00 -0.778041D+01 -0.168589D+01 -0.197411D+01
                21            22            23            24            25 
      1  -0.168589D+01  0.202703D+01 -0.175044D+01 -0.118078D+01 -0.271296D+01
      2  -0.197411D+01 -0.175044D+01 -0.369046D+00  0.148360D+01 -0.194062D+01
      3  -0.227616D+01 -0.118078D+01  0.148360D+01 -0.811587D+00 -0.340077D+01
                26            27            28            29            30 
      1  -0.194062D+01 -0.340077D+01  0.196268D+01  0.942224D+00  0.113456D+01
      2   0.486645D+00 -0.188229D+01  0.942224D+00  0.334536D+01  0.184887D-01
      3  -0.188229D+01 -0.453393D+01  0.113456D+01  0.184887D-01  0.155906D+01
                31            32            33            34            35 
      1   0.607683D+00  0.254979D+01 -0.172302D+00  0.199661D+01  0.548118D+00
      2   0.254979D+01 -0.522895D-01 -0.298552D+01  0.548118D+00 -0.310392D+01
      3  -0.172302D+00 -0.298552D+01  0.128587D-02  0.200363D+01  0.174959D+00
                36            37            38            39            40 
      1   0.200363D+01  0.100285D+01 -0.142195D+01  0.503093D+00 -0.266600D+00
      2   0.174959D+00 -0.142195D+01  0.159916D+01  0.769395D+00  0.832495D+00
      3   0.212392D-01  0.503093D+00  0.769395D+00  0.732907D+00  0.640605D+00
                41            42            43            44            45 
      1   0.832495D+00  0.640605D+00 -0.805489D+00  0.128628D+01  0.141040D+00
      2   0.443744D+01 -0.213210D+01  0.128628D+01 -0.248242D+01  0.260009D+00
      3  -0.213210D+01  0.385215D+00  0.141040D+00  0.260009D+00 -0.224600D+00
                46            47            48            49            50 
      1  -0.565423D+00 -0.264405D+01  0.616974D+00 -0.366857D+01  0.832462D+00
      2  -0.264405D+01  0.440573D+00 -0.494901D+00  0.832462D+00 -0.121733D+02
      3   0.616974D+00 -0.494901D+00 -0.138050D+00  0.318421D-01  0.242122D+01
                51            52            53            54            55 
      1   0.318421D-01  0.115757D+01 -0.509099D+00  0.163135D+00  0.541910D+01
      2   0.242122D+01 -0.509099D+00  0.166864D+01 -0.282920D+01  0.314801D+00
      3  -0.255481D+01  0.163135D+00 -0.282920D+01  0.209644D+01 -0.231420D+01
                56            57            58            59            60 
      1   0.314801D+00 -0.231420D+01 -0.230295D+01  0.281859D+01  0.959949D+00
      2   0.107649D+01 -0.137707D+00  0.281859D+01 -0.319597D+01 -0.623288D+00
      3  -0.137707D+00  0.113462D+01  0.959949D+00 -0.623288D+00 -0.697473D+00
                61            62            63            64            65 
      1  -0.169240D+01 -0.187317D+00  0.218456D+01  0.225324D+01  0.302941D+00
      2  -0.187317D+00  0.397656D+00  0.354931D+00  0.302941D+00  0.933810D+00
      3   0.218456D+01  0.354931D+00 -0.308886D+01  0.245263D+01  0.923228D+00
                66            67            68            69            70 
      1   0.245263D+01  0.182300D+00  0.120885D+01  0.736375D+00  0.322255D+01
      2   0.923228D+00  0.120885D+01  0.150179D+01  0.136530D+01  0.992453D+00
      3   0.234555D+01  0.736375D+00  0.136530D+01  0.121978D+01  0.297359D+01
                71            72            73            74            75 
      1   0.992453D+00  0.297359D+01  0.472732D+00 -0.702604D+00  0.739488D+00
      2   0.165743D+01  0.190635D+01 -0.702604D+00 -0.400646D+00 -0.122006D+00
      3   0.190635D+01  0.746233D+01  0.739488D+00 -0.122006D+00 -0.352853D+00
                76            77            78            79            80 
      1  -0.165460D+01 -0.441690D+00 -0.663879D+00  0.488137D+00 -0.148909D+00
      2  -0.441690D+00 -0.364563D+01  0.275853D+01 -0.148909D+00  0.186818D+01
      3  -0.663879D+00  0.275853D+01 -0.425573D+01 -0.338792D+00 -0.232162D+01
                81            82            83            84            85 
      1  -0.338792D+00 -0.267359D+01  0.151800D+01  0.144892D+01  0.213444D+01
      2  -0.232162D+01  0.151800D+01 -0.143202D+01 -0.142360D+01 -0.141950D+01
      3   0.415119D+01  0.144892D+01 -0.142360D+01 -0.267061D+01 -0.120012D+01
                86            87            88            89            90 
      1  -0.141950D+01 -0.120012D+01  0.897976D+00 -0.955786D+00 -0.207413D+01
      2   0.322904D+01  0.268376D+01 -0.955786D+00  0.151825D+01  0.165509D+01
      3   0.268376D+01  0.248584D+01 -0.207413D+01  0.165509D+01  0.324160D+01
                91            92            93            94            95 
      1   0.595245D+00  0.144210D+01  0.985352D-01  0.355842D+01 -0.848130D+00
      2   0.144210D+01 -0.387877D+00 -0.338424D+00 -0.848130D+00  0.450676D+01
      3   0.985352D-01 -0.338424D+00  0.258931D+00 -0.135867D+01 -0.538736D+00
                96            97            98            99           100 
      1  -0.135867D+01 -0.385225D+00 -0.505940D+00  0.654205D+00 -0.226585D+01
      2  -0.538736D+00 -0.505940D+00 -0.652059D+00  0.579255D+00 -0.249853D+00
      3   0.147255D+01  0.654205D+00  0.579255D+00 -0.134679D+01 -0.176799D+01
               101           102           103           104           105 
      1  -0.249853D+00 -0.176799D+01 -0.376660D+00 -0.110504D+01  0.804837D-01
      2  -0.209982D+01  0.358795D+00 -0.110504D+01  0.273469D+00 -0.429307D+00
      3   0.358795D+00 -0.142210D+01  0.804837D-01 -0.429307D+00  0.196326D+00
               106           107           108           109           110 
      1  -0.319045D+01 -0.386246D+00 -0.114454D+01  0.249989D+00  0.774334D+00
      2  -0.386246D+00 -0.168179D+01  0.810790D+00  0.774334D+00 -0.125404D+01
      3  -0.114454D+01  0.810790D+00 -0.273919D+01 -0.262130D-01 -0.899498D-01
               111           112           113           114           115 
      1  -0.262130D-01  0.134457D+01 -0.799387D+00 -0.190425D+00  0.518535D+00
      2  -0.899498D-01 -0.799387D+00  0.826178D+01  0.195865D+01 -0.338729D-01
      3   0.284766D-01 -0.190425D+00  0.195865D+01  0.152408D+01 -0.127203D+00
               116           117           118           119           120 
      1  -0.338729D-01 -0.127203D+00  0.214651D+01 -0.188356D+01 -0.366129D+00
      2   0.368372D+01  0.181293D+01 -0.188356D+01  0.273536D+01  0.827777D+00
      3   0.181293D+01  0.138015D+01 -0.366129D+00  0.827777D+00  0.104168D+01
               121           122           123           124           125 
      1  -0.279203D+01  0.168148D+01  0.655626D+00 -0.239008D-01  0.465377D+00
      2   0.168148D+01 -0.580331D+01 -0.263774D+01  0.465377D+00 -0.260265D+01
      3   0.655626D+00 -0.263774D+01 -0.219246D+01  0.429596D+00 -0.144108D+01
               126 
      1   0.429596D+00
      2  -0.144108D+01
      3  -0.171364D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.294693D+01  0.681168D+00  0.473530D+01 -0.204769D+01 -0.160580D+01
      2   0.462401D+01  0.146329D+01 -0.431750D+01  0.132979D+01  0.278978D+01
      3  -0.247885D+01  0.381521D+00  0.168725D+01  0.780328D+01  0.439308D+01
                 6             7             8             9            10 
      1  -0.102008D+02  0.448320D+01 -0.570386D+00  0.466425D+01 -0.330319D+01
      2  -0.799549D+01 -0.148521D+02 -0.585950D+01 -0.117392D+02  0.101570D+02
      3  -0.243590D+01  0.299328D+01 -0.673311D+00  0.226772D+01  0.407865D+01
                11            12            13            14            15 
      1   0.138433D+01 -0.330486D+01 -0.124108D+01 -0.683252D+01 -0.113368D+02
      2   0.618593D+01  0.225629D+02  0.625331D+01 -0.109135D+01 -0.697092D+00
      3  -0.190504D+02 -0.276746D+01 -0.791424D+00  0.106614D+02  0.249725D+01
                16            17            18            19            20 
      1  -0.232086D+00  0.595006D+01 -0.125709D+01  0.453264D+01 -0.258911D+00
      2   0.261911D+01 -0.556234D+00  0.117523D+02 -0.557026D+01 -0.428016D+01
      3  -0.350563D+01  0.319984D+01  0.133051D+01 -0.997177D+00 -0.296637D+01
                21            22            23            24            25 
      1  -0.636954D+00 -0.416997D+00 -0.448694D+00  0.126682D+01  0.416195D+00
      2   0.173624D+01 -0.661501D+01  0.136267D+00 -0.126750D+01 -0.867172D+00
      3  -0.787566D+00  0.479685D+01  0.332224D+01  0.532687D+00  0.833116D+00
                26            27            28            29            30 
      1   0.656360D+01 -0.213976D+01 -0.500413D+01 -0.270087D+01 -0.399213D+01
      2  -0.120623D+01  0.109008D+01  0.289901D+01 -0.597269D+00  0.759283D+01
      3  -0.146781D+01 -0.799196D+00  0.524793D+01 -0.517305D+01  0.422533D+01
                31            32            33            34            35 
      1  -0.920912D+00  0.102541D+02 -0.338418D+01 -0.550661D+01  0.467762D+01
      2   0.180382D+01 -0.198815D+01  0.553619D+00  0.338573D+00  0.193826D+01
      3   0.413914D+01  0.329402D+01  0.188871D+01  0.495882D+01  0.553232D+01
                36            37            38            39            40 
      1   0.118292D+01 -0.155055D+01  0.298238D+01  0.742231D+00  0.391740D+01
      2  -0.848785D+00 -0.125755D+02  0.392893D+01 -0.294279D+00 -0.120366D+01
      3   0.365636D+01  0.666899D+01 -0.661558D+01 -0.831180D+00 -0.876756D+01
                41            42            43            44            45 
      1   0.151096D+01  0.570156D+01 -0.277159D+01  0.684324D+01 -0.238472D+01
      2   0.365933D+00  0.302275D+01 -0.114792D+02  0.400491D+01  0.869444D+01
      3  -0.973296D+01 -0.139123D+01  0.199087D+01 -0.238938D+01 -0.761922D-02
                46            47            48            49            50 
      1   0.831874D+00  0.590410D-01  0.526564D+00  0.487222D+00 -0.225343D+01
      2   0.292034D+01 -0.199652D+01  0.280051D+01  0.304471D+01  0.571321D+00
      3   0.406146D+01 -0.774453D+00  0.656038D+00  0.141922D+02  0.175690D+02
                51            52            53            54            55 
      1  -0.113848D+02  0.519030D+00  0.164016D+00  0.229613D+01  0.634403D+00
      2  -0.473958D+01 -0.128247D+01 -0.558022D+01  0.997641D+00  0.167730D+01
      3  -0.209644D+01 -0.112630D+01 -0.123652D+01  0.480254D+01 -0.572529D+00
                56            57            58            59            60 
      1  -0.414763D+01 -0.128912D+01 -0.430244D+01  0.711571D+01 -0.249967D+01
      2  -0.201548D+01  0.662462D+01 -0.922331D+00  0.551903D+00 -0.188145D+01
      3  -0.936651D+01  0.795771D+00 -0.641361D+01  0.142508D+02  0.237590D+01
                61            62            63            64            65 
      1   0.143218D+01  0.299715D+01  0.261993D-02 -0.111573D+01  0.120159D+01
      2   0.397893D+01 -0.130112D+01 -0.954328D+01 -0.149100D+01 -0.291132D+00
      3  -0.849344D+00  0.307644D+01 -0.148972D+01  0.147911D+01 -0.150935D+01
                66            67            68            69            70 
      1  -0.895067D+00  0.866796D+00  0.178991D+01 -0.487832D+00 -0.285009D+00
      2  -0.275909D-01  0.434960D+00 -0.860769D+00  0.460636D+00 -0.441788D+01
      3   0.137673D+01  0.501027D+00 -0.949221D+00 -0.249180D+00  0.146404D+01
                71            72            73            74            75 
      1   0.220367D+01 -0.244692D+01 -0.844249D+00  0.640607D+00 -0.538748D+00
      2  -0.400969D+00  0.391272D+00 -0.319716D+01  0.861747D+00  0.126554D+00
      3  -0.829291D+00  0.863822D+00 -0.105393D+01 -0.824355D+00 -0.525965D+00
                76            77            78            79            80 
      1   0.395730D+00 -0.545290D+01  0.307243D+01 -0.252551D+00  0.474645D+01
      2   0.361518D+01 -0.288934D+01  0.592443D+01 -0.236120D+01  0.253959D+01
      3   0.159257D+01 -0.539729D+01  0.379664D+01 -0.683662D+00  0.199305D+01
                81            82            83            84            85 
      1  -0.310421D+01  0.178195D+01 -0.170790D+01 -0.888449D+00 -0.153892D+01
      2  -0.315500D+01  0.213815D+01 -0.117434D+00  0.247351D+01 -0.255918D+01
      3  -0.282953D+01  0.102030D+01 -0.299728D+01 -0.177783D+01  0.334746D+00
                86            87            88            89            90 
      1   0.409768D+01  0.166577D+01 -0.770241D+00  0.340301D+01  0.335828D+00
      2  -0.139517D+01 -0.184021D+01 -0.965233D+00 -0.866617D+00 -0.899359D+00
      3   0.419427D+01  0.332611D+01 -0.446577D+00  0.192971D+01  0.159285D+01
                91            92            93            94            95 
      1  -0.160856D+01  0.328829D+01 -0.855529D+00  0.415917D+01 -0.853138D+01
      2  -0.182389D+01  0.967252D+00 -0.556750D-01  0.110412D+01 -0.330364D+01
      3  -0.139478D+01  0.403499D+01  0.102500D+01  0.769644D+01 -0.177178D+02
                96            97            98            99           100 
      1  -0.100006D-01 -0.718802D+00  0.159258D+01  0.850043D+00  0.587963D+01
      2   0.334450D+01 -0.114365D+01  0.148983D+01 -0.474574D+00 -0.360295D+01
      3  -0.260687D+00  0.188787D+00 -0.187758D+00 -0.115622D+00 -0.804552D+01
               101           102           103           104           105 
      1   0.124865D+01  0.516240D+01  0.108805D+01  0.152578D+01 -0.634933D+00
      2  -0.381409D+00 -0.281813D+01 -0.126395D+01 -0.211131D+01 -0.322004D+00
      3  -0.214737D+01 -0.461077D+01 -0.765989D+00 -0.236865D+01  0.777181D+00
               106           107           108           109           110 
      1   0.488527D+01  0.555616D+00  0.575432D+01  0.655426D+00  0.604026D+00
      2  -0.543440D+01 -0.891417D+00 -0.175850D+01  0.105050D+00  0.109082D+00
      3  -0.825770D+01 -0.309195D+00 -0.350244D+01 -0.230049D+00  0.144415D+01
               111           112           113           114           115 
      1   0.334828D+00  0.107453D+01 -0.599981D+01 -0.531625D+01  0.454875D+00
      2  -0.439398D-01 -0.192492D+00  0.148100D+01  0.784142D+00 -0.843774D+00
      3  -0.350617D+00  0.521041D+01 -0.620450D+01 -0.213487D+01  0.186446D+01
               116           117           118           119           120 
      1  -0.403443D+01 -0.380873D+01  0.205740D+01 -0.327477D+01  0.899539D+00
      2   0.133479D+01  0.853263D+00  0.369666D+01 -0.395266D+01 -0.199002D+01
      3  -0.251445D+01 -0.161281D+01 -0.928222D+01  0.753719D+01  0.200184D+01
               121           122           123           124           125 
      1  -0.147759D+01  0.494621D+01 -0.821372D+00 -0.155237D+00  0.293468D+01
      2  -0.482927D+01  0.774352D+01  0.465325D+01 -0.246025D+01  0.385669D+01
      3   0.964263D+01 -0.138161D+02 -0.666377D+01  0.575835D+00 -0.612364D+01
               126 
      1  -0.612434D-01
      2   0.467728D+01
      3  -0.415686D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.614380D+01 -0.125882D+01 -0.709640D+01 -0.267731D+01  0.516292D+01
      2  -0.551711D+00 -0.403832D+01  0.522564D+01 -0.199974D+01  0.165196D+01
      3   0.669551D+01  0.529713D+01  0.187076D+01  0.467704D+01 -0.681488D+01
      4   0.309807D+01 -0.564001D+01 -0.600032D+01 -0.313763D+01  0.206003D+01
      5  -0.404815D+01 -0.858187D+01 -0.173636D+02 -0.115494D+02  0.119838D+02
      6  -0.254937D+01  0.380824D+01  0.401320D+01  0.544710D+01  0.152611D+01
                 6             7             8             9            10 
      1  -0.812829D+01 -0.217532D+02 -0.877709D+01 -0.998816D+01  0.626877D+02
      2   0.505510D+01  0.938544D+01  0.681615D+00  0.593213D+01 -0.335692D+02
      3   0.307319D+01  0.123678D+02  0.809547D+01  0.405603D+01 -0.291185D+02
      4   0.860787D+01 -0.121232D+02 -0.590929D+00 -0.336976D+00  0.625880D+01
      5  -0.362551D+01 -0.174677D+02 -0.112095D+01 -0.906903D+01  0.162246D+02
      6  -0.116863D+02  0.275545D+01 -0.100684D+02  0.103579D+01 -0.168830D+01
                11            12            13            14            15 
      1  -0.328889D+01  0.820537D+01 -0.140188D+02  0.147622D+02  0.629422D+01
      2   0.754901D+01 -0.647592D+01  0.138316D+02  0.384093D+01 -0.613656D+01
      3  -0.426012D+01 -0.172946D+01  0.187211D+00 -0.186032D+02 -0.157660D+00
      4   0.291174D+02  0.209192D+01  0.330873D+02 -0.100414D+01  0.209887D+01
      5   0.336299D+00  0.351259D+02  0.149677D+01  0.330606D+01  0.200882D+01
      6   0.751223D+01  0.454855D+01  0.583443D+01 -0.995050D+01  0.113209D+02
                16            17            18            19            20 
      1   0.101723D+02  0.866168D+01  0.116302D+02 -0.186973D+01  0.567927D+01
      2  -0.101969D+02 -0.523604D+01 -0.259547D+02  0.892391D+01 -0.101742D+01
      3   0.246048D-01 -0.342563D+01  0.143246D+02 -0.705418D+01 -0.466185D+01
      4   0.603563D+01 -0.144479D+01  0.394537D+01  0.211314D+01  0.170909D+00
      5   0.403388D+02  0.632452D+01  0.289708D+02 -0.365758D+01 -0.133631D+01
      6   0.693303D+01  0.107503D+02 -0.489388D+00 -0.400601D+01 -0.509642D+01
                21            22            23            24            25 
      1   0.635395D+01  0.834796D+00 -0.988944D+00 -0.160354D+00  0.110375D+02
      2   0.300972D+01  0.159579D+01 -0.299805D+01  0.353463D+01 -0.474846D+00
      3  -0.936367D+01 -0.243059D+01  0.398700D+01 -0.337428D+01 -0.105626D+02
      4  -0.354239D+01 -0.607565D+01 -0.522240D+01  0.132687D+01  0.299164D+01
      5  -0.657769D+01  0.154224D+01 -0.708634D+00 -0.672615D+01 -0.403959D+01
      6  -0.666175D+01 -0.228427D+01  0.128268D+01 -0.213424D+01 -0.563267D+01
                26            27            28            29            30 
      1   0.122175D+01  0.728282D+01  0.748631D+01 -0.101549D+02 -0.903842D-01
      2   0.983451D+01  0.666656D+01 -0.116436D+01  0.148940D+02  0.201263D+00
      3  -0.110563D+02 -0.139494D+02 -0.632195D+01 -0.473904D+01 -0.110879D+00
      4   0.147225D+01 -0.564377D+01  0.240151D+01  0.474483D+01  0.482919D+01
      5  -0.378715D+01 -0.924025D+01 -0.198094D+01  0.391421D+00  0.526485D+01
      6  -0.202139D+01 -0.890931D+01  0.502430D+01 -0.101924D+01  0.721983D+01
                31            32            33            34            35 
      1  -0.508707D+01  0.922187D+00  0.894770D+01 -0.273217D+01  0.974369D+01
      2   0.915705D+01 -0.866277D+00 -0.136057D+02  0.352710D+01 -0.191963D+02
      3  -0.406998D+01 -0.559100D-01  0.465802D+01 -0.794927D+00  0.945261D+01
      4   0.891592D+01  0.988776D+01 -0.395464D+01  0.432701D+01 -0.443341D+01
      5  -0.589756D+00 -0.257513D+01  0.221536D+01  0.451782D+01  0.115334D+01
      6  -0.157580D+01 -0.165124D+02  0.404754D+01  0.566916D+01  0.878882D+00
                36            37            38            39            40 
      1   0.485818D+00 -0.486254D+01 -0.450197D+01  0.100500D+01 -0.103504D+01
      2  -0.333982D+01  0.422425D-01  0.177217D+01 -0.735917D+01  0.235921D+01
      3   0.285400D+01  0.482030D+01  0.272980D+01  0.635418D+01 -0.132417D+01
      4   0.600848D+01 -0.412907D+01  0.113862D+01  0.190658D+01 -0.911543D+01
      5  -0.422456D+01  0.707587D+01  0.237602D+01 -0.310330D+01  0.451268D+01
      6  -0.228526D+01  0.366203D+00  0.111781D+00  0.480513D+00 -0.160827D+01
                41            42            43            44            45 
      1   0.169617D+02 -0.307824D+01  0.112511D+02  0.147498D+01  0.761193D+00
      2  -0.273315D+02 -0.102139D+00 -0.947310D+01  0.328666D+01 -0.176647D+01
      3   0.103698D+02  0.318038D+01 -0.177802D+01 -0.476164D+01  0.100528D+01
      4   0.172653D+02 -0.516734D+01  0.757042D+01 -0.230156D+01  0.229855D+01
      5  -0.827340D+01  0.467977D+01 -0.115693D+00  0.188294D+01  0.865191D+01
      6   0.719863D+01 -0.993120D+01  0.295854D+01  0.670967D-02  0.258217D+01
                46            47            48            49            50 
      1   0.424507D+01 -0.656148D+01  0.118964D+01 -0.689906D+01 -0.292425D+02
      2   0.313820D+01  0.262994D+01  0.524648D-01  0.903478D+00  0.522849D+02
      3  -0.738326D+01  0.393154D+01 -0.124211D+01  0.599559D+01 -0.230424D+02
      4  -0.888575D+01  0.141529D+02 -0.318596D+01  0.181535D+02 -0.344774D+02
      5   0.386377D+01 -0.333881D+01  0.595521D+01 -0.232820D+01  0.109596D+02
      6  -0.211249D+01  0.147411D+01 -0.221495D+01  0.306363D+01 -0.110766D+02
                51            52            53            54            55 
      1   0.690448D+01  0.869004D+00  0.359478D+01 -0.791606D+01  0.407999D+02
      2  -0.558077D+01  0.974521D+00 -0.443860D+01  0.438998D+01 -0.259251D+02
      3  -0.132371D+01 -0.184353D+01  0.843828D+00  0.352608D+01 -0.148748D+02
      4   0.674283D+01 -0.380074D+01  0.449757D+01 -0.880971D+01  0.324109D+01
      5  -0.984001D+01  0.488430D+01 -0.960693D+01  0.659748D+01 -0.155367D+02
      6   0.163316D+02 -0.288537D+01  0.150454D+02 -0.679891D+01  0.828949D+00
                56            57            58            59            60 
      1   0.267785D+01 -0.828692D+01 -0.777574D+01  0.818759D+01  0.286441D+01
      2   0.496220D-01  0.994962D+01  0.716168D+01 -0.427953D+01 -0.281294D+01
      3  -0.272747D+01 -0.166270D+01  0.614054D+00 -0.390806D+01 -0.514666D-01
      4   0.100923D+02 -0.443789D+00  0.128669D+02 -0.864425D+01 -0.261761D+01
      5  -0.473265D+00  0.154175D+02  0.395961D+01 -0.379624D+01 -0.340807D+01
      6  -0.134453D+01  0.718945D+00 -0.225793D+01  0.273876D+01  0.634386D+01
                61            62            63            64            65 
      1  -0.100886D+02 -0.918478D+00  0.255506D+01  0.231075D+01 -0.157732D+01
      2   0.990458D+01  0.743236D-01 -0.135054D+02 -0.675884D+01  0.190604D+00
      3   0.184018D+00  0.844154D+00  0.109503D+02  0.444809D+01  0.138672D+01
      4  -0.278747D+01 -0.154953D+01  0.648001D+00  0.384398D+01  0.524793D+01
      5   0.160326D+02  0.186991D+01 -0.193463D+02  0.943792D+01  0.358937D+01
      6  -0.109578D+01  0.452553D+01  0.110864D+01  0.495226D+01  0.402472D+01
                66            67            68            69            70 
      1  -0.195562D+01 -0.126148D+01 -0.447262D+01 -0.373678D+01 -0.434570D+01
      2  -0.569077D+01  0.309135D+00  0.147540D+01  0.935379D+00 -0.431693D+01
      3   0.764639D+01  0.952345D+00  0.299722D+01  0.280140D+01  0.866263D+01
      4   0.417652D+01  0.474877D+01  0.337919D+01  0.324016D+01  0.265656D+01
      5   0.120543D+02  0.221561D+01  0.321481D+01  0.328602D+01  0.101493D+02
      6   0.536369D+01  0.423430D+01  0.542237D+01  0.880874D+01  0.556544D+01
                71            72            73            74            75 
      1  -0.507423D+01 -0.153301D+02 -0.629586D-01  0.166950D+01 -0.206429D+01
      2  -0.133380D+01 -0.141896D+02 -0.583317D+00  0.897985D-01  0.523774D+00
      3   0.640803D+01  0.295197D+02  0.646276D+00 -0.175930D+01  0.154051D+01
      4   0.336573D+01  0.542028D+01  0.120029D+01  0.320170D+01 -0.143423D+01
      5   0.399993D+01  0.165634D+02 -0.120189D+01 -0.165353D+01  0.577988D+01
      6   0.837594D+01  0.153403D+02 -0.310265D+01  0.488529D-01 -0.396842D+00
                76            77            78            79            80 
      1   0.438472D+01 -0.754409D+01  0.110441D+02 -0.571424D-01  0.676748D+01
      2  -0.257712D+01  0.235520D+01 -0.545163D+00  0.495424D+00  0.121527D+01
      3  -0.180759D+01  0.518888D+01 -0.104990D+02 -0.438282D+00 -0.798275D+01
      4   0.317016D+01  0.609622D+01 -0.438867D+01 -0.267599D+00 -0.174504D+01
      5  -0.381815D+00 -0.713373D+01  0.104937D+02  0.460446D+01  0.465519D+01
      6  -0.123378D+00 -0.129172D+02  0.135790D+02 -0.859926D+00  0.104579D+02
                81            82            83            84            85 
      1  -0.115585D+02  0.699808D+01 -0.218569D+01 -0.117203D+01 -0.213696D+01
      2  -0.618569D+01 -0.564253D+01  0.214982D+01  0.492754D+01  0.199177D+01
      3   0.177442D+02 -0.135554D+01  0.358620D-01 -0.375552D+01  0.145191D+00
      4   0.233205D+01 -0.779104D+01  0.805422D+01  0.712272D+01  0.801679D+01
      5  -0.851598D+01 -0.111759D+02  0.841935D+01  0.144150D+02  0.840681D+01
      6  -0.121922D+02  0.560775D+01 -0.429396D+01 -0.431349D+01 -0.562578D+01
                86            87            88            89            90 
      1  -0.406816D+01 -0.323682D+01  0.167996D+01 -0.197300D+01 -0.451300D+01
      2   0.301496D+01 -0.138601D+01  0.338185D+01 -0.199528D+01 -0.722595D+01
      3   0.105320D+01  0.462283D+01 -0.506181D+01  0.396829D+01  0.117390D+02
      4  -0.122917D+02 -0.959209D+01  0.471017D+01 -0.485599D+01 -0.721130D+01
      5  -0.114014D+02 -0.107166D+02  0.108956D+02 -0.761242D+01 -0.139292D+02
      6   0.108661D+02  0.108001D+02 -0.401189D+01  0.839144D+01  0.890013D+01
                91            92            93            94            95 
      1  -0.173538D+01  0.372469D+01  0.230980D+00  0.145955D+02 -0.462959D+01
      2   0.367816D+01 -0.167352D+01 -0.143061D+01 -0.108082D+02  0.494305D+01
      3  -0.194278D+01 -0.205117D+01  0.119963D+01 -0.378729D+01 -0.313463D+00
      4   0.660142D+01  0.863628D+00 -0.157587D+01  0.174616D+01  0.148127D+02
      5   0.756261D+00 -0.231068D+01 -0.279920D+00 -0.743519D+01 -0.141344D+01
      6  -0.139050D+01 -0.520923D+00  0.207205D+01 -0.175416D+01 -0.483379D+01
                96            97            98            99           100 
      1  -0.324870D+01  0.136109D+01  0.156237D+00 -0.987567D+00  0.116336D+00
      2   0.418024D+01 -0.621998D+00  0.367747D+00 -0.120283D+01 -0.187799D+01
      3  -0.931544D+00 -0.739090D+00 -0.523984D+00  0.219039D+01  0.176166D+01
      4  -0.369877D+01 -0.211235D+01 -0.265592D+01  0.292549D+01 -0.579812D+01
      5   0.739201D+01  0.290211D+01  0.252249D+01 -0.309298D+01  0.250310D+01
      6   0.162035D+01  0.186168D+01  0.260162D+01 -0.320302D+01 -0.553268D+01
               101           102           103           104           105 
      1   0.571213D+01 -0.392973D+00  0.180418D+01 -0.430764D+00  0.156799D+01
      2  -0.889391D+01  0.305679D+00 -0.366701D+01  0.183523D+01 -0.169186D+01
      3   0.318177D+01  0.872945D-01  0.186283D+01 -0.140447D+01  0.123864D+00
      4   0.307946D+01 -0.442602D+01  0.234306D+01 -0.279477D+01  0.130589D+01
      5  -0.223383D+00  0.107422D+01  0.877533D-01  0.101632D+01 -0.102210D+01
      6   0.257293D+01 -0.726140D+01  0.190393D+01 -0.161273D+01  0.215625D+01
               106           107           108           109           110 
      1  -0.172050D+00  0.482170D+01 -0.460186D+01 -0.974715D+00  0.409828D+01
      2  -0.197130D+01 -0.565619D+01 -0.433648D+00  0.264460D+01 -0.733154D+01
      3   0.214335D+01  0.834498D+00  0.503551D+01 -0.166989D+01  0.323326D+01
      4  -0.701037D+01  0.116515D+01 -0.428599D+01 -0.599569D-01  0.536298D+01
      5   0.261105D+01 -0.590873D+00  0.207494D+01 -0.554377D+00  0.113965D+01
      6  -0.492811D+01  0.399403D+01 -0.965862D+01  0.932148D+00 -0.115202D+01
               111           112           113           114           115 
      1   0.176468D+00  0.219891D+01 -0.257734D+02 -0.660780D+01  0.126403D+00
      2  -0.806685D-01 -0.386078D+01  0.449250D+02  0.106371D+02 -0.239125D+00
      3  -0.957993D-01  0.166187D+01 -0.191516D+02 -0.402933D+01  0.112722D+00
      4   0.109052D+01  0.477223D+01  0.380742D+00 -0.841794D-01  0.132654D+01
      5   0.161630D+01 -0.186885D+00  0.124534D+01  0.765617D+00  0.138183D+01
      6  -0.663191D+00 -0.122044D+01  0.144929D+02  0.870905D+01 -0.543111D+00
               116           117           118           119           120 
      1  -0.118604D+02 -0.661754D+01 -0.452265D+01  0.995565D+01  0.380683D+01
      2   0.180437D+02  0.769337D+01  0.540974D+01 -0.836438D+01 -0.311337D+01
      3  -0.618330D+01 -0.107583D+01 -0.887090D+00 -0.159127D+01 -0.693458D+00
      4   0.114966D+01  0.386339D+00  0.896832D+00 -0.352869D+01 -0.828963D+00
      5   0.105953D+01  0.763556D+00 -0.177386D+01  0.144563D+01 -0.609327D+00
      6   0.130353D+02  0.845569D+01  0.267039D+01 -0.612577D+01 -0.290516D+01
               121           122           123           124           125 
      1   0.150792D+02 -0.195519D+02 -0.927921D+01  0.269679D+01 -0.769237D+01
      2  -0.104085D+02  0.205595D+02  0.722521D+01 -0.329554D+00  0.449915D+01
      3  -0.467064D+01 -0.100762D+01  0.205400D+01 -0.236724D+01  0.319321D+01
      4  -0.113776D+01  0.135440D+02  0.611303D+01 -0.151622D+01  0.792681D+01
      5   0.249738D+00  0.357603D+01  0.449715D+01  0.165949D+01  0.224166D+01
      6  -0.410114D+01  0.131556D+02  0.880352D+01 -0.279525D+01  0.100848D+02
               126 
      1  -0.704855D+01
      2   0.327585D+01
      3   0.377269D+01
      4   0.232317D+01
      5   0.372837D+01
      6   0.589393D+01
 Leave Link  716 at Thu Aug 12 21:44:18 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.783543D+02  0.299120D+01 -0.677791D-01
      2   0.299120D+01  0.760581D+02 -0.220100D+00
      3  -0.677791D-01 -0.220100D+00  0.687694D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.623315D+00 -0.144072D+01 -0.364838D+01
      2  -0.171715D+02 -0.825699D+01 -0.296595D+02
      3   0.124132D+02  0.969595D+01  0.754875D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.622585D+02 -0.178558D+02 -0.348174D+02
      2   0.318994D+02  0.127850D+02  0.119626D+02
      3   0.303591D+02  0.507077D+01  0.228548D+02
      4  -0.178532D+01 -0.136246D+02 -0.129589D+02
      5  -0.234320D+02 -0.146515D+02 -0.422371D+02
      6  -0.225423D+01  0.905067D+01  0.118742D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.627812D+00 -0.115458D+01  0.243226D+01 -0.107912D+01  0.108497D+01
      2  -0.115458D+01  0.120021D+01  0.257907D+01  0.108497D+01  0.236546D+00
      3   0.243226D+01  0.257907D+01  0.490064D+01  0.261744D+01 -0.337726D+01
                 6             7             8             9            10 
      1   0.261744D+01  0.474991D+01  0.318487D+01  0.474484D+01 -0.990140D+01
      2  -0.337726D+01  0.318487D+01 -0.115674D+01  0.168491D+01  0.364644D+00
      3   0.276055D+01  0.474484D+01  0.168491D+01  0.307447D+01 -0.326603D+01
                11            12            13            14            15 
      1   0.364644D+00 -0.326603D+01  0.228609D+01 -0.464443D+01 -0.956136D+00
      2  -0.452625D+01 -0.896057D+00 -0.464443D+01  0.279277D+01  0.528964D-01
      3  -0.896057D+00 -0.514209D+01 -0.956136D+00  0.528964D-01  0.466435D+00
                16            17            18            19            20 
      1  -0.422088D+01 -0.180930D+01 -0.620915D+01  0.676088D+00  0.239755D+01
      2  -0.180930D+01  0.399063D+00 -0.765041D+00  0.239755D+01 -0.123032D+01
      3  -0.620915D+01 -0.765041D+00 -0.778041D+01 -0.168589D+01 -0.197411D+01
                21            22            23            24            25 
      1  -0.168589D+01  0.202703D+01 -0.175044D+01 -0.118078D+01 -0.271296D+01
      2  -0.197411D+01 -0.175044D+01 -0.369046D+00  0.148360D+01 -0.194062D+01
      3  -0.227616D+01 -0.118078D+01  0.148360D+01 -0.811587D+00 -0.340077D+01
                26            27            28            29            30 
      1  -0.194062D+01 -0.340077D+01  0.196268D+01  0.942224D+00  0.113456D+01
      2   0.486645D+00 -0.188229D+01  0.942224D+00  0.334536D+01  0.184887D-01
      3  -0.188229D+01 -0.453393D+01  0.113456D+01  0.184887D-01  0.155906D+01
                31            32            33            34            35 
      1   0.607683D+00  0.254979D+01 -0.172302D+00  0.199661D+01  0.548118D+00
      2   0.254979D+01 -0.522895D-01 -0.298552D+01  0.548118D+00 -0.310392D+01
      3  -0.172302D+00 -0.298552D+01  0.128587D-02  0.200363D+01  0.174959D+00
                36            37            38            39            40 
      1   0.200363D+01  0.100285D+01 -0.142195D+01  0.503093D+00 -0.266600D+00
      2   0.174959D+00 -0.142195D+01  0.159916D+01  0.769395D+00  0.832495D+00
      3   0.212392D-01  0.503093D+00  0.769395D+00  0.732907D+00  0.640605D+00
                41            42            43            44            45 
      1   0.832495D+00  0.640605D+00 -0.805489D+00  0.128628D+01  0.141040D+00
      2   0.443744D+01 -0.213210D+01  0.128628D+01 -0.248242D+01  0.260009D+00
      3  -0.213210D+01  0.385215D+00  0.141040D+00  0.260009D+00 -0.224600D+00
                46            47            48            49            50 
      1  -0.565423D+00 -0.264405D+01  0.616974D+00 -0.366857D+01  0.832462D+00
      2  -0.264405D+01  0.440573D+00 -0.494901D+00  0.832462D+00 -0.121733D+02
      3   0.616974D+00 -0.494901D+00 -0.138050D+00  0.318421D-01  0.242122D+01
                51            52            53            54            55 
      1   0.318421D-01  0.115757D+01 -0.509099D+00  0.163135D+00  0.541910D+01
      2   0.242122D+01 -0.509099D+00  0.166864D+01 -0.282920D+01  0.314801D+00
      3  -0.255481D+01  0.163135D+00 -0.282920D+01  0.209644D+01 -0.231420D+01
                56            57            58            59            60 
      1   0.314801D+00 -0.231420D+01 -0.230295D+01  0.281859D+01  0.959949D+00
      2   0.107649D+01 -0.137707D+00  0.281859D+01 -0.319597D+01 -0.623288D+00
      3  -0.137707D+00  0.113462D+01  0.959949D+00 -0.623288D+00 -0.697473D+00
                61            62            63            64            65 
      1  -0.169240D+01 -0.187317D+00  0.218456D+01  0.225324D+01  0.302941D+00
      2  -0.187317D+00  0.397656D+00  0.354931D+00  0.302941D+00  0.933810D+00
      3   0.218456D+01  0.354931D+00 -0.308886D+01  0.245263D+01  0.923228D+00
                66            67            68            69            70 
      1   0.245263D+01  0.182300D+00  0.120885D+01  0.736375D+00  0.322255D+01
      2   0.923228D+00  0.120885D+01  0.150179D+01  0.136530D+01  0.992453D+00
      3   0.234555D+01  0.736375D+00  0.136530D+01  0.121978D+01  0.297359D+01
                71            72            73            74            75 
      1   0.992453D+00  0.297359D+01  0.472732D+00 -0.702604D+00  0.739488D+00
      2   0.165743D+01  0.190635D+01 -0.702604D+00 -0.400646D+00 -0.122006D+00
      3   0.190635D+01  0.746233D+01  0.739488D+00 -0.122006D+00 -0.352853D+00
                76            77            78            79            80 
      1  -0.165460D+01 -0.441690D+00 -0.663879D+00  0.488137D+00 -0.148909D+00
      2  -0.441690D+00 -0.364563D+01  0.275853D+01 -0.148909D+00  0.186818D+01
      3  -0.663879D+00  0.275853D+01 -0.425573D+01 -0.338792D+00 -0.232162D+01
                81            82            83            84            85 
      1  -0.338792D+00 -0.267359D+01  0.151800D+01  0.144892D+01  0.213444D+01
      2  -0.232162D+01  0.151800D+01 -0.143202D+01 -0.142360D+01 -0.141950D+01
      3   0.415119D+01  0.144892D+01 -0.142360D+01 -0.267061D+01 -0.120012D+01
                86            87            88            89            90 
      1  -0.141950D+01 -0.120012D+01  0.897976D+00 -0.955786D+00 -0.207413D+01
      2   0.322904D+01  0.268376D+01 -0.955786D+00  0.151825D+01  0.165509D+01
      3   0.268376D+01  0.248584D+01 -0.207413D+01  0.165509D+01  0.324160D+01
                91            92            93            94            95 
      1   0.595245D+00  0.144210D+01  0.985352D-01  0.355842D+01 -0.848130D+00
      2   0.144210D+01 -0.387877D+00 -0.338424D+00 -0.848130D+00  0.450676D+01
      3   0.985352D-01 -0.338424D+00  0.258931D+00 -0.135867D+01 -0.538736D+00
                96            97            98            99           100 
      1  -0.135867D+01 -0.385225D+00 -0.505940D+00  0.654205D+00 -0.226585D+01
      2  -0.538736D+00 -0.505940D+00 -0.652059D+00  0.579255D+00 -0.249853D+00
      3   0.147255D+01  0.654205D+00  0.579255D+00 -0.134679D+01 -0.176799D+01
               101           102           103           104           105 
      1  -0.249853D+00 -0.176799D+01 -0.376660D+00 -0.110504D+01  0.804837D-01
      2  -0.209982D+01  0.358795D+00 -0.110504D+01  0.273469D+00 -0.429307D+00
      3   0.358795D+00 -0.142210D+01  0.804837D-01 -0.429307D+00  0.196326D+00
               106           107           108           109           110 
      1  -0.319045D+01 -0.386246D+00 -0.114454D+01  0.249989D+00  0.774334D+00
      2  -0.386246D+00 -0.168179D+01  0.810790D+00  0.774334D+00 -0.125404D+01
      3  -0.114454D+01  0.810790D+00 -0.273919D+01 -0.262130D-01 -0.899498D-01
               111           112           113           114           115 
      1  -0.262130D-01  0.134457D+01 -0.799387D+00 -0.190425D+00  0.518535D+00
      2  -0.899498D-01 -0.799387D+00  0.826178D+01  0.195865D+01 -0.338729D-01
      3   0.284766D-01 -0.190425D+00  0.195865D+01  0.152408D+01 -0.127203D+00
               116           117           118           119           120 
      1  -0.338729D-01 -0.127203D+00  0.214651D+01 -0.188356D+01 -0.366129D+00
      2   0.368372D+01  0.181293D+01 -0.188356D+01  0.273536D+01  0.827777D+00
      3   0.181293D+01  0.138015D+01 -0.366129D+00  0.827777D+00  0.104168D+01
               121           122           123           124           125 
      1  -0.279203D+01  0.168148D+01  0.655626D+00 -0.239008D-01  0.465377D+00
      2   0.168148D+01 -0.580331D+01 -0.263774D+01  0.465377D+00 -0.260265D+01
      3   0.655626D+00 -0.263774D+01 -0.219246D+01  0.429596D+00 -0.144108D+01
               126 
      1   0.429596D+00
      2  -0.144108D+01
      3  -0.171364D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.294693D+01  0.681168D+00  0.473530D+01 -0.204769D+01 -0.160580D+01
      2   0.462401D+01  0.146329D+01 -0.431750D+01  0.132979D+01  0.278978D+01
      3  -0.247885D+01  0.381521D+00  0.168725D+01  0.780328D+01  0.439308D+01
                 6             7             8             9            10 
      1  -0.102008D+02  0.448320D+01 -0.570386D+00  0.466425D+01 -0.330319D+01
      2  -0.799549D+01 -0.148521D+02 -0.585950D+01 -0.117392D+02  0.101570D+02
      3  -0.243590D+01  0.299328D+01 -0.673311D+00  0.226772D+01  0.407865D+01
                11            12            13            14            15 
      1   0.138433D+01 -0.330486D+01 -0.124108D+01 -0.683252D+01 -0.113368D+02
      2   0.618593D+01  0.225629D+02  0.625331D+01 -0.109135D+01 -0.697092D+00
      3  -0.190504D+02 -0.276746D+01 -0.791424D+00  0.106614D+02  0.249725D+01
                16            17            18            19            20 
      1  -0.232086D+00  0.595006D+01 -0.125709D+01  0.453264D+01 -0.258911D+00
      2   0.261911D+01 -0.556234D+00  0.117523D+02 -0.557026D+01 -0.428016D+01
      3  -0.350563D+01  0.319984D+01  0.133051D+01 -0.997177D+00 -0.296637D+01
                21            22            23            24            25 
      1  -0.636954D+00 -0.416997D+00 -0.448694D+00  0.126682D+01  0.416195D+00
      2   0.173624D+01 -0.661501D+01  0.136267D+00 -0.126750D+01 -0.867172D+00
      3  -0.787566D+00  0.479685D+01  0.332224D+01  0.532687D+00  0.833116D+00
                26            27            28            29            30 
      1   0.656360D+01 -0.213976D+01 -0.500413D+01 -0.270087D+01 -0.399213D+01
      2  -0.120623D+01  0.109008D+01  0.289901D+01 -0.597269D+00  0.759283D+01
      3  -0.146781D+01 -0.799196D+00  0.524793D+01 -0.517305D+01  0.422533D+01
                31            32            33            34            35 
      1  -0.920912D+00  0.102541D+02 -0.338418D+01 -0.550661D+01  0.467762D+01
      2   0.180382D+01 -0.198815D+01  0.553619D+00  0.338573D+00  0.193826D+01
      3   0.413914D+01  0.329402D+01  0.188871D+01  0.495882D+01  0.553232D+01
                36            37            38            39            40 
      1   0.118292D+01 -0.155055D+01  0.298238D+01  0.742231D+00  0.391740D+01
      2  -0.848785D+00 -0.125755D+02  0.392893D+01 -0.294279D+00 -0.120366D+01
      3   0.365636D+01  0.666899D+01 -0.661558D+01 -0.831180D+00 -0.876756D+01
                41            42            43            44            45 
      1   0.151096D+01  0.570156D+01 -0.277159D+01  0.684324D+01 -0.238472D+01
      2   0.365933D+00  0.302275D+01 -0.114792D+02  0.400491D+01  0.869444D+01
      3  -0.973296D+01 -0.139123D+01  0.199087D+01 -0.238938D+01 -0.761922D-02
                46            47            48            49            50 
      1   0.831874D+00  0.590410D-01  0.526564D+00  0.487222D+00 -0.225343D+01
      2   0.292034D+01 -0.199652D+01  0.280051D+01  0.304471D+01  0.571321D+00
      3   0.406146D+01 -0.774453D+00  0.656038D+00  0.141922D+02  0.175690D+02
                51            52            53            54            55 
      1  -0.113848D+02  0.519030D+00  0.164016D+00  0.229613D+01  0.634403D+00
      2  -0.473958D+01 -0.128247D+01 -0.558022D+01  0.997641D+00  0.167730D+01
      3  -0.209644D+01 -0.112630D+01 -0.123652D+01  0.480254D+01 -0.572529D+00
                56            57            58            59            60 
      1  -0.414763D+01 -0.128912D+01 -0.430244D+01  0.711571D+01 -0.249967D+01
      2  -0.201548D+01  0.662462D+01 -0.922331D+00  0.551903D+00 -0.188145D+01
      3  -0.936651D+01  0.795771D+00 -0.641361D+01  0.142508D+02  0.237590D+01
                61            62            63            64            65 
      1   0.143218D+01  0.299715D+01  0.261993D-02 -0.111573D+01  0.120159D+01
      2   0.397893D+01 -0.130112D+01 -0.954328D+01 -0.149100D+01 -0.291132D+00
      3  -0.849344D+00  0.307644D+01 -0.148972D+01  0.147911D+01 -0.150935D+01
                66            67            68            69            70 
      1  -0.895067D+00  0.866796D+00  0.178991D+01 -0.487832D+00 -0.285009D+00
      2  -0.275909D-01  0.434960D+00 -0.860769D+00  0.460636D+00 -0.441788D+01
      3   0.137673D+01  0.501027D+00 -0.949221D+00 -0.249180D+00  0.146404D+01
                71            72            73            74            75 
      1   0.220367D+01 -0.244692D+01 -0.844249D+00  0.640607D+00 -0.538748D+00
      2  -0.400969D+00  0.391272D+00 -0.319716D+01  0.861747D+00  0.126554D+00
      3  -0.829291D+00  0.863822D+00 -0.105393D+01 -0.824355D+00 -0.525965D+00
                76            77            78            79            80 
      1   0.395730D+00 -0.545290D+01  0.307243D+01 -0.252551D+00  0.474645D+01
      2   0.361518D+01 -0.288934D+01  0.592443D+01 -0.236120D+01  0.253959D+01
      3   0.159257D+01 -0.539729D+01  0.379664D+01 -0.683662D+00  0.199305D+01
                81            82            83            84            85 
      1  -0.310421D+01  0.178195D+01 -0.170790D+01 -0.888449D+00 -0.153892D+01
      2  -0.315500D+01  0.213815D+01 -0.117434D+00  0.247351D+01 -0.255918D+01
      3  -0.282953D+01  0.102030D+01 -0.299728D+01 -0.177783D+01  0.334746D+00
                86            87            88            89            90 
      1   0.409768D+01  0.166577D+01 -0.770241D+00  0.340301D+01  0.335828D+00
      2  -0.139517D+01 -0.184021D+01 -0.965233D+00 -0.866617D+00 -0.899359D+00
      3   0.419427D+01  0.332611D+01 -0.446577D+00  0.192971D+01  0.159285D+01
                91            92            93            94            95 
      1  -0.160856D+01  0.328829D+01 -0.855529D+00  0.415917D+01 -0.853138D+01
      2  -0.182389D+01  0.967252D+00 -0.556750D-01  0.110412D+01 -0.330364D+01
      3  -0.139478D+01  0.403499D+01  0.102500D+01  0.769644D+01 -0.177178D+02
                96            97            98            99           100 
      1  -0.100006D-01 -0.718802D+00  0.159258D+01  0.850043D+00  0.587963D+01
      2   0.334450D+01 -0.114365D+01  0.148983D+01 -0.474574D+00 -0.360295D+01
      3  -0.260687D+00  0.188787D+00 -0.187758D+00 -0.115622D+00 -0.804552D+01
               101           102           103           104           105 
      1   0.124865D+01  0.516240D+01  0.108805D+01  0.152578D+01 -0.634933D+00
      2  -0.381409D+00 -0.281813D+01 -0.126395D+01 -0.211131D+01 -0.322004D+00
      3  -0.214737D+01 -0.461077D+01 -0.765989D+00 -0.236865D+01  0.777181D+00
               106           107           108           109           110 
      1   0.488527D+01  0.555616D+00  0.575432D+01  0.655426D+00  0.604026D+00
      2  -0.543440D+01 -0.891417D+00 -0.175850D+01  0.105050D+00  0.109082D+00
      3  -0.825770D+01 -0.309195D+00 -0.350244D+01 -0.230049D+00  0.144415D+01
               111           112           113           114           115 
      1   0.334828D+00  0.107453D+01 -0.599981D+01 -0.531625D+01  0.454875D+00
      2  -0.439398D-01 -0.192492D+00  0.148100D+01  0.784142D+00 -0.843774D+00
      3  -0.350617D+00  0.521041D+01 -0.620450D+01 -0.213487D+01  0.186446D+01
               116           117           118           119           120 
      1  -0.403443D+01 -0.380873D+01  0.205740D+01 -0.327477D+01  0.899539D+00
      2   0.133479D+01  0.853263D+00  0.369666D+01 -0.395266D+01 -0.199002D+01
      3  -0.251445D+01 -0.161281D+01 -0.928222D+01  0.753719D+01  0.200184D+01
               121           122           123           124           125 
      1  -0.147759D+01  0.494621D+01 -0.821372D+00 -0.155237D+00  0.293468D+01
      2  -0.482927D+01  0.774352D+01  0.465325D+01 -0.246025D+01  0.385669D+01
      3   0.964263D+01 -0.138161D+02 -0.666377D+01  0.575835D+00 -0.612364D+01
               126 
      1  -0.612434D-01
      2   0.467728D+01
      3  -0.415686D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.614380D+01 -0.125882D+01 -0.709640D+01 -0.267731D+01  0.516292D+01
      2  -0.551711D+00 -0.403832D+01  0.522564D+01 -0.199974D+01  0.165196D+01
      3   0.669551D+01  0.529713D+01  0.187076D+01  0.467704D+01 -0.681488D+01
      4   0.309807D+01 -0.564001D+01 -0.600032D+01 -0.313763D+01  0.206003D+01
      5  -0.404815D+01 -0.858187D+01 -0.173636D+02 -0.115494D+02  0.119838D+02
      6  -0.254937D+01  0.380824D+01  0.401320D+01  0.544710D+01  0.152611D+01
                 6             7             8             9            10 
      1  -0.812829D+01 -0.217532D+02 -0.877709D+01 -0.998816D+01  0.626877D+02
      2   0.505510D+01  0.938544D+01  0.681615D+00  0.593213D+01 -0.335692D+02
      3   0.307319D+01  0.123678D+02  0.809547D+01  0.405603D+01 -0.291185D+02
      4   0.860787D+01 -0.121232D+02 -0.590929D+00 -0.336976D+00  0.625880D+01
      5  -0.362551D+01 -0.174677D+02 -0.112095D+01 -0.906903D+01  0.162246D+02
      6  -0.116863D+02  0.275545D+01 -0.100684D+02  0.103579D+01 -0.168830D+01
                11            12            13            14            15 
      1  -0.328889D+01  0.820537D+01 -0.140188D+02  0.147622D+02  0.629422D+01
      2   0.754901D+01 -0.647592D+01  0.138316D+02  0.384093D+01 -0.613656D+01
      3  -0.426012D+01 -0.172946D+01  0.187211D+00 -0.186032D+02 -0.157660D+00
      4   0.291174D+02  0.209192D+01  0.330873D+02 -0.100414D+01  0.209887D+01
      5   0.336299D+00  0.351259D+02  0.149677D+01  0.330606D+01  0.200882D+01
      6   0.751223D+01  0.454855D+01  0.583443D+01 -0.995050D+01  0.113209D+02
                16            17            18            19            20 
      1   0.101723D+02  0.866168D+01  0.116302D+02 -0.186973D+01  0.567927D+01
      2  -0.101969D+02 -0.523604D+01 -0.259547D+02  0.892391D+01 -0.101742D+01
      3   0.246048D-01 -0.342563D+01  0.143246D+02 -0.705418D+01 -0.466185D+01
      4   0.603563D+01 -0.144479D+01  0.394537D+01  0.211314D+01  0.170909D+00
      5   0.403388D+02  0.632452D+01  0.289708D+02 -0.365758D+01 -0.133631D+01
      6   0.693303D+01  0.107503D+02 -0.489388D+00 -0.400601D+01 -0.509642D+01
                21            22            23            24            25 
      1   0.635395D+01  0.834796D+00 -0.988944D+00 -0.160354D+00  0.110375D+02
      2   0.300972D+01  0.159579D+01 -0.299805D+01  0.353463D+01 -0.474846D+00
      3  -0.936367D+01 -0.243059D+01  0.398700D+01 -0.337428D+01 -0.105626D+02
      4  -0.354239D+01 -0.607565D+01 -0.522240D+01  0.132687D+01  0.299164D+01
      5  -0.657769D+01  0.154224D+01 -0.708634D+00 -0.672615D+01 -0.403959D+01
      6  -0.666175D+01 -0.228427D+01  0.128268D+01 -0.213424D+01 -0.563267D+01
                26            27            28            29            30 
      1   0.122175D+01  0.728282D+01  0.748631D+01 -0.101549D+02 -0.903842D-01
      2   0.983451D+01  0.666656D+01 -0.116436D+01  0.148940D+02  0.201263D+00
      3  -0.110563D+02 -0.139494D+02 -0.632195D+01 -0.473904D+01 -0.110879D+00
      4   0.147225D+01 -0.564377D+01  0.240151D+01  0.474483D+01  0.482919D+01
      5  -0.378715D+01 -0.924025D+01 -0.198094D+01  0.391421D+00  0.526485D+01
      6  -0.202139D+01 -0.890931D+01  0.502430D+01 -0.101924D+01  0.721983D+01
                31            32            33            34            35 
      1  -0.508707D+01  0.922187D+00  0.894770D+01 -0.273217D+01  0.974369D+01
      2   0.915705D+01 -0.866277D+00 -0.136057D+02  0.352710D+01 -0.191963D+02
      3  -0.406998D+01 -0.559100D-01  0.465802D+01 -0.794927D+00  0.945261D+01
      4   0.891592D+01  0.988776D+01 -0.395464D+01  0.432701D+01 -0.443341D+01
      5  -0.589756D+00 -0.257513D+01  0.221536D+01  0.451782D+01  0.115334D+01
      6  -0.157580D+01 -0.165124D+02  0.404754D+01  0.566916D+01  0.878882D+00
                36            37            38            39            40 
      1   0.485818D+00 -0.486254D+01 -0.450197D+01  0.100500D+01 -0.103504D+01
      2  -0.333982D+01  0.422425D-01  0.177217D+01 -0.735917D+01  0.235921D+01
      3   0.285400D+01  0.482030D+01  0.272980D+01  0.635418D+01 -0.132417D+01
      4   0.600848D+01 -0.412907D+01  0.113862D+01  0.190658D+01 -0.911543D+01
      5  -0.422456D+01  0.707587D+01  0.237602D+01 -0.310330D+01  0.451268D+01
      6  -0.228526D+01  0.366203D+00  0.111781D+00  0.480513D+00 -0.160827D+01
                41            42            43            44            45 
      1   0.169617D+02 -0.307824D+01  0.112511D+02  0.147498D+01  0.761193D+00
      2  -0.273315D+02 -0.102139D+00 -0.947310D+01  0.328666D+01 -0.176647D+01
      3   0.103698D+02  0.318038D+01 -0.177802D+01 -0.476164D+01  0.100528D+01
      4   0.172653D+02 -0.516734D+01  0.757042D+01 -0.230156D+01  0.229855D+01
      5  -0.827340D+01  0.467977D+01 -0.115693D+00  0.188294D+01  0.865191D+01
      6   0.719863D+01 -0.993120D+01  0.295854D+01  0.670967D-02  0.258217D+01
                46            47            48            49            50 
      1   0.424507D+01 -0.656148D+01  0.118964D+01 -0.689906D+01 -0.292425D+02
      2   0.313820D+01  0.262994D+01  0.524648D-01  0.903478D+00  0.522849D+02
      3  -0.738326D+01  0.393154D+01 -0.124211D+01  0.599559D+01 -0.230424D+02
      4  -0.888575D+01  0.141529D+02 -0.318596D+01  0.181535D+02 -0.344774D+02
      5   0.386377D+01 -0.333881D+01  0.595521D+01 -0.232820D+01  0.109596D+02
      6  -0.211249D+01  0.147411D+01 -0.221495D+01  0.306363D+01 -0.110766D+02
                51            52            53            54            55 
      1   0.690448D+01  0.869004D+00  0.359478D+01 -0.791606D+01  0.407999D+02
      2  -0.558077D+01  0.974521D+00 -0.443860D+01  0.438998D+01 -0.259251D+02
      3  -0.132371D+01 -0.184353D+01  0.843828D+00  0.352608D+01 -0.148748D+02
      4   0.674283D+01 -0.380074D+01  0.449757D+01 -0.880971D+01  0.324109D+01
      5  -0.984001D+01  0.488430D+01 -0.960693D+01  0.659748D+01 -0.155367D+02
      6   0.163316D+02 -0.288537D+01  0.150454D+02 -0.679891D+01  0.828949D+00
                56            57            58            59            60 
      1   0.267785D+01 -0.828692D+01 -0.777574D+01  0.818759D+01  0.286441D+01
      2   0.496220D-01  0.994962D+01  0.716168D+01 -0.427953D+01 -0.281294D+01
      3  -0.272747D+01 -0.166270D+01  0.614054D+00 -0.390806D+01 -0.514666D-01
      4   0.100923D+02 -0.443789D+00  0.128669D+02 -0.864425D+01 -0.261761D+01
      5  -0.473265D+00  0.154175D+02  0.395961D+01 -0.379624D+01 -0.340807D+01
      6  -0.134453D+01  0.718945D+00 -0.225793D+01  0.273876D+01  0.634386D+01
                61            62            63            64            65 
      1  -0.100886D+02 -0.918478D+00  0.255506D+01  0.231075D+01 -0.157732D+01
      2   0.990458D+01  0.743236D-01 -0.135054D+02 -0.675884D+01  0.190604D+00
      3   0.184018D+00  0.844154D+00  0.109503D+02  0.444809D+01  0.138672D+01
      4  -0.278747D+01 -0.154953D+01  0.648001D+00  0.384398D+01  0.524793D+01
      5   0.160326D+02  0.186991D+01 -0.193463D+02  0.943792D+01  0.358937D+01
      6  -0.109578D+01  0.452553D+01  0.110864D+01  0.495226D+01  0.402472D+01
                66            67            68            69            70 
      1  -0.195562D+01 -0.126148D+01 -0.447262D+01 -0.373678D+01 -0.434570D+01
      2  -0.569077D+01  0.309135D+00  0.147540D+01  0.935379D+00 -0.431693D+01
      3   0.764639D+01  0.952345D+00  0.299722D+01  0.280140D+01  0.866263D+01
      4   0.417652D+01  0.474877D+01  0.337919D+01  0.324016D+01  0.265656D+01
      5   0.120543D+02  0.221561D+01  0.321481D+01  0.328602D+01  0.101493D+02
      6   0.536369D+01  0.423430D+01  0.542237D+01  0.880874D+01  0.556544D+01
                71            72            73            74            75 
      1  -0.507423D+01 -0.153301D+02 -0.629586D-01  0.166950D+01 -0.206429D+01
      2  -0.133380D+01 -0.141896D+02 -0.583317D+00  0.897985D-01  0.523774D+00
      3   0.640803D+01  0.295197D+02  0.646276D+00 -0.175930D+01  0.154051D+01
      4   0.336573D+01  0.542028D+01  0.120029D+01  0.320170D+01 -0.143423D+01
      5   0.399993D+01  0.165634D+02 -0.120189D+01 -0.165353D+01  0.577988D+01
      6   0.837594D+01  0.153403D+02 -0.310265D+01  0.488529D-01 -0.396842D+00
                76            77            78            79            80 
      1   0.438472D+01 -0.754409D+01  0.110441D+02 -0.571424D-01  0.676748D+01
      2  -0.257712D+01  0.235520D+01 -0.545163D+00  0.495424D+00  0.121527D+01
      3  -0.180759D+01  0.518888D+01 -0.104990D+02 -0.438282D+00 -0.798275D+01
      4   0.317016D+01  0.609622D+01 -0.438867D+01 -0.267599D+00 -0.174504D+01
      5  -0.381815D+00 -0.713373D+01  0.104937D+02  0.460446D+01  0.465519D+01
      6  -0.123378D+00 -0.129172D+02  0.135790D+02 -0.859926D+00  0.104579D+02
                81            82            83            84            85 
      1  -0.115585D+02  0.699808D+01 -0.218569D+01 -0.117203D+01 -0.213696D+01
      2  -0.618569D+01 -0.564253D+01  0.214982D+01  0.492754D+01  0.199177D+01
      3   0.177442D+02 -0.135554D+01  0.358620D-01 -0.375552D+01  0.145191D+00
      4   0.233205D+01 -0.779104D+01  0.805422D+01  0.712272D+01  0.801679D+01
      5  -0.851598D+01 -0.111759D+02  0.841935D+01  0.144150D+02  0.840681D+01
      6  -0.121922D+02  0.560775D+01 -0.429396D+01 -0.431349D+01 -0.562578D+01
                86            87            88            89            90 
      1  -0.406816D+01 -0.323682D+01  0.167996D+01 -0.197300D+01 -0.451300D+01
      2   0.301496D+01 -0.138601D+01  0.338185D+01 -0.199528D+01 -0.722595D+01
      3   0.105320D+01  0.462283D+01 -0.506181D+01  0.396829D+01  0.117390D+02
      4  -0.122917D+02 -0.959209D+01  0.471017D+01 -0.485599D+01 -0.721130D+01
      5  -0.114014D+02 -0.107166D+02  0.108956D+02 -0.761242D+01 -0.139292D+02
      6   0.108661D+02  0.108001D+02 -0.401189D+01  0.839144D+01  0.890013D+01
                91            92            93            94            95 
      1  -0.173538D+01  0.372469D+01  0.230980D+00  0.145955D+02 -0.462959D+01
      2   0.367816D+01 -0.167352D+01 -0.143061D+01 -0.108082D+02  0.494305D+01
      3  -0.194278D+01 -0.205117D+01  0.119963D+01 -0.378729D+01 -0.313463D+00
      4   0.660142D+01  0.863628D+00 -0.157587D+01  0.174616D+01  0.148127D+02
      5   0.756261D+00 -0.231068D+01 -0.279920D+00 -0.743519D+01 -0.141344D+01
      6  -0.139050D+01 -0.520923D+00  0.207205D+01 -0.175416D+01 -0.483379D+01
                96            97            98            99           100 
      1  -0.324870D+01  0.136109D+01  0.156237D+00 -0.987567D+00  0.116336D+00
      2   0.418024D+01 -0.621998D+00  0.367747D+00 -0.120283D+01 -0.187799D+01
      3  -0.931544D+00 -0.739090D+00 -0.523984D+00  0.219039D+01  0.176166D+01
      4  -0.369877D+01 -0.211235D+01 -0.265592D+01  0.292549D+01 -0.579812D+01
      5   0.739201D+01  0.290211D+01  0.252249D+01 -0.309298D+01  0.250310D+01
      6   0.162035D+01  0.186168D+01  0.260162D+01 -0.320302D+01 -0.553268D+01
               101           102           103           104           105 
      1   0.571213D+01 -0.392973D+00  0.180418D+01 -0.430764D+00  0.156799D+01
      2  -0.889391D+01  0.305679D+00 -0.366701D+01  0.183523D+01 -0.169186D+01
      3   0.318177D+01  0.872945D-01  0.186283D+01 -0.140447D+01  0.123864D+00
      4   0.307946D+01 -0.442602D+01  0.234306D+01 -0.279477D+01  0.130589D+01
      5  -0.223383D+00  0.107422D+01  0.877533D-01  0.101632D+01 -0.102210D+01
      6   0.257293D+01 -0.726140D+01  0.190393D+01 -0.161273D+01  0.215625D+01
               106           107           108           109           110 
      1  -0.172050D+00  0.482170D+01 -0.460186D+01 -0.974715D+00  0.409828D+01
      2  -0.197130D+01 -0.565619D+01 -0.433648D+00  0.264460D+01 -0.733154D+01
      3   0.214335D+01  0.834498D+00  0.503551D+01 -0.166989D+01  0.323326D+01
      4  -0.701037D+01  0.116515D+01 -0.428599D+01 -0.599569D-01  0.536298D+01
      5   0.261105D+01 -0.590873D+00  0.207494D+01 -0.554377D+00  0.113965D+01
      6  -0.492811D+01  0.399403D+01 -0.965862D+01  0.932148D+00 -0.115202D+01
               111           112           113           114           115 
      1   0.176468D+00  0.219891D+01 -0.257734D+02 -0.660780D+01  0.126403D+00
      2  -0.806685D-01 -0.386078D+01  0.449250D+02  0.106371D+02 -0.239125D+00
      3  -0.957993D-01  0.166187D+01 -0.191516D+02 -0.402933D+01  0.112722D+00
      4   0.109052D+01  0.477223D+01  0.380742D+00 -0.841794D-01  0.132654D+01
      5   0.161630D+01 -0.186885D+00  0.124534D+01  0.765617D+00  0.138183D+01
      6  -0.663191D+00 -0.122044D+01  0.144929D+02  0.870905D+01 -0.543111D+00
               116           117           118           119           120 
      1  -0.118604D+02 -0.661754D+01 -0.452265D+01  0.995565D+01  0.380683D+01
      2   0.180437D+02  0.769337D+01  0.540974D+01 -0.836438D+01 -0.311337D+01
      3  -0.618330D+01 -0.107583D+01 -0.887090D+00 -0.159127D+01 -0.693458D+00
      4   0.114966D+01  0.386339D+00  0.896832D+00 -0.352869D+01 -0.828963D+00
      5   0.105953D+01  0.763556D+00 -0.177386D+01  0.144563D+01 -0.609327D+00
      6   0.130353D+02  0.845569D+01  0.267039D+01 -0.612577D+01 -0.290516D+01
               121           122           123           124           125 
      1   0.150792D+02 -0.195519D+02 -0.927921D+01  0.269679D+01 -0.769237D+01
      2  -0.104085D+02  0.205595D+02  0.722521D+01 -0.329554D+00  0.449915D+01
      3  -0.467064D+01 -0.100762D+01  0.205400D+01 -0.236724D+01  0.319321D+01
      4  -0.113776D+01  0.135440D+02  0.611303D+01 -0.151622D+01  0.792681D+01
      5   0.249738D+00  0.357603D+01  0.449715D+01  0.165949D+01  0.224166D+01
      6  -0.410114D+01  0.131556D+02  0.880352D+01 -0.279525D+01  0.100848D+02
               126 
      1  -0.704855D+01
      2   0.327585D+01
      3   0.377269D+01
      4   0.232317D+01
      5   0.372837D+01
      6   0.589393D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180415D+01      0.458569D+01      0.152962D+02
   x         -0.547114D+00     -0.139063D+01     -0.463863D+01
   y          0.162828D+01      0.413868D+01      0.138051D+02
   z          0.551660D+00      0.140218D+01      0.467717D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.681954D+02      0.101055D+02      0.112439D+02
   aniso      0.930910D+01      0.137947D+01      0.153486D+01
   xx         0.716604D+02      0.106190D+02      0.118152D+02
   yx         0.243582D+01      0.360951D+00      0.401612D+00
   yy         0.701116D+02      0.103895D+02      0.115598D+02
   zx         0.618175D+00      0.916041D-01      0.101923D+00
   zy         0.503304D+00      0.745819D-01      0.829836D-01
   zz         0.628142D+02      0.930810D+01      0.103567D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.743939D+02      0.110240D+02      0.122659D+02
   aniso      0.101062D+02      0.149758D+01      0.166629D+01
   xx         0.783543D+02      0.116109D+02      0.129189D+02
   yx         0.299120D+01      0.443250D+00      0.493182D+00
   yy         0.760581D+02      0.112707D+02      0.125403D+02
   zx        -0.677791D-01     -0.100438D-01     -0.111753D-01
   zy        -0.220100D+00     -0.326155D-01     -0.362896D-01
   zz         0.687694D+02      0.101906D+02      0.113385D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.24641604         -2.03519886          1.24324173
    16         -3.93449348         -0.07327055          0.32594033
     6          1.27263411         -0.61969111          1.20752953
     7          1.38492540          1.66648138          2.75516855
     6          2.05435184          0.01528484         -1.52550917
     8          1.62225679         -1.35295206         -3.28555090
     8          3.30291008          2.19478524         -1.74161525
     1          2.73660394         -1.91549721          1.88735268
     1         -1.15485379         -3.67762515          0.01352977
     1         -1.66511488         -2.67009889          3.15755579
     1          3.28340613          2.94013493         -0.03665214
     1         -0.30897994          2.57143491          2.70138140
     1          1.81222594          1.28242030          4.57722152
     1         -3.33061289          0.07916722         -2.13585874

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180415D+01      0.458569D+01      0.152962D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180415D+01      0.458569D+01      0.152962D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.681954D+02      0.101055D+02      0.112439D+02
   aniso      0.930910D+01      0.137947D+01      0.153486D+01
   xx         0.721405D+02      0.106901D+02      0.118944D+02
   yx         0.274072D+01      0.406133D+00      0.451884D+00
   yy         0.640441D+02      0.949035D+01      0.105594D+02
   zx         0.106433D+01      0.157717D+00      0.175484D+00
   zy         0.195503D+01      0.289706D+00      0.322341D+00
   zz         0.684016D+02      0.101361D+02      0.112779D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.743939D+02      0.110240D+02      0.122659D+02
   aniso      0.101062D+02      0.149758D+01      0.166629D+01
   xx         0.784714D+02      0.116283D+02      0.129382D+02
   yx         0.368878D+01      0.546621D+00      0.608198D+00
   yy         0.708688D+02      0.105017D+02      0.116847D+02
   zx         0.908848D+00      0.134677D+00      0.149849D+00
   zy         0.222116D+01      0.329142D+00      0.366220D+00
   zz         0.738416D+02      0.109422D+02      0.121748D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-29\Freq\RM11\Gen\C3H7N1O2S1\PIERPA\12-Aug-2021\0\\#P 
 M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess
 =Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.038368,0.050
 355,0.973144\S,-1.995843,-0.295319,-0.543653\C,0.363508,0.594497,0.695
 573\N,0.423962,1.801216,-0.127846\C,1.257054,-0.497668,0.075532\O,1.17
 5185,-1.658561,0.374863\O,2.147652,-0.028506,-0.799987\H,0.830827,0.82
 3589,1.659371\H,-0.978162,-0.853759,1.573271\H,-1.621949,0.791783,1.51
 8928\H,1.947126,0.93199,-0.883214\H,-0.300279,1.767801,-0.840577\H,0.2
 99163,2.642352,0.418972\H,-1.286825,-1.373729,-0.917887\\Version=ES64L
 -G16RevA.03\State=1-A\HF=-722.1298596\RMSD=9.075e-09\RMSF=2.606e-05\Ze
 roPoint=0.1084251\Thermal=0.1161878\Dipole=-0.5471142,1.628281,0.55165
 97\DipoleDeriv=0.1654882,0.0154946,0.1000217,0.1179906,0.0082015,0.153
 8651,0.1940782,0.1310128,0.2056327,-0.1403657,-0.1304184,0.0490204,-0.
 1619473,-0.1275424,-0.02949,0.0088487,-0.0137825,-0.1354741,0.1585139,
 0.013557,0.1003537,0.1553219,0.3354932,-0.1718791,-0.0145327,-0.253245
 ,0.0821068,-0.5793672,-0.0581683,0.1017957,-0.0626663,-0.595319,0.1365
 608,0.1626548,0.1503274,-0.3306257,0.931842,0.1697541,-0.5157858,-0.00
 58983,1.3798239,-0.3267074,-0.6044905,-0.3645547,0.7413945,-0.5613851,
 0.0816882,0.0644298,-0.019981,-1.1213135,0.2417956,0.1166043,0.1246197
 ,-0.4598006,-0.8283346,-0.2758643,0.3965015,0.0097042,-0.7057753,0.139
 7195,0.428993,0.321587,-0.6636904,-0.0388951,-0.024063,-0.0863018,-0.0
 384458,-0.0021618,-0.0402148,-0.0490879,0.0077347,-0.0300801,0.029025,
 -0.0269386,-0.0749609,-0.0480326,0.0106148,0.0454954,-0.0632585,0.0279
 016,-0.037001,-0.0247404,0.0288611,0.0093171,0.0476461,-0.0076099,-0.0
 883113,0.0036354,-0.0696452,-0.0018009,0.4417718,-0.1026325,-0.0643999
 ,-0.1282834,0.4448516,0.0161758,-0.0799227,0.0141119,0.2868556,0.19519
 27,0.0952957,-0.0920452,0.0498887,0.1945986,-0.0371983,-0.0395998,-0.0
 129826,0.1814306,0.2002481,0.1338522,0.0185511,0.053357,0.1255415,-0.0
 123733,-0.0112941,-0.0785179,0.1154997,0.0510065,0.0795821,-0.0064975,
 0.0313463,0.060597,-0.0274381,-0.0526281,0.0154325,0.0455529\Polar=71.
 6603787,2.4358183,70.1116036,0.6181753,0.5033039,62.8141698\Quadrupole
 =-4.5087388,1.5119725,2.9967663,2.834465,0.3203557,2.0775754\PG=C01 [X
 (C3H7N1O2S1)]\NImag=0\\0.42431923,-0.08049477,0.56314365,-0.06279289,-
 0.03376452,0.41953008,-0.06633459,0.01247638,-0.03201216,0.17676013,0.
 00052257,-0.04332443,-0.01652659,-0.10742418,0.21207650,-0.04939220,0.
 00295478,-0.09238036,0.04511621,0.07239691,0.15968743,-0.15709190,-0.0
 1711890,0.02075094,-0.01863248,-0.00762266,-0.01088160,0.46809386,-0.0
 2587824,-0.08807456,0.00820600,-0.00758706,-0.00344040,-0.00566511,0.0
 1462018,0.46711532,0.01486076,0.00481883,-0.06982659,-0.02583010,-0.00
 711778,-0.00713468,0.03654133,0.00271636,0.55209642,0.00277337,-0.0293
 0729,0.01888799,0.00076910,-0.00304605,0.00050794,-0.07134212,0.009535
 13,-0.02274768,0.32698227,-0.00442633,-0.02183526,0.01276692,-0.000804
 17,-0.00078824,0.00178868,-0.02133348,-0.16415370,0.05682559,-0.038458
 13,0.60807059,0.00380911,0.01583550,-0.00896007,-0.00228606,-0.0032508
 8,0.00161038,0.00304951,0.03597594,-0.12681279,0.18676625,0.11049478,0
 .52267921,-0.02884705,0.01753602,0.01817663,0.00092927,0.00121028,0.00
 113994,-0.11010010,0.03272293,0.01049553,-0.00624687,0.00537008,0.0023
 0136,0.40808767,0.00317255,0.01664274,0.00314729,-0.00108885,-0.001815
 61,-0.00044387,0.01731863,-0.09627176,-0.01700929,0.00593714,-0.031488
 87,-0.00271332,0.01744690,0.98077727,0.00778676,-0.00022887,-0.0029560
 6,-0.00087377,0.00107832,-0.00087004,0.01339774,-0.03368772,-0.0982132
 9,-0.00094993,0.01495445,0.00373908,-0.16108439,-0.16559083,0.40076779
 ,0.00010295,-0.00026849,0.00012205,-0.00046301,0.00025219,-0.00002118,
 0.01334813,0.01589452,0.00097412,0.00268488,0.00347620,0.00015593,-0.0
 9433829,-0.01825311,0.01986083,0.07909256,-0.00396228,-0.00306192,0.00
 015936,0.00052170,0.00149483,0.00028409,0.00269361,-0.03850197,0.00808
 158,0.00566630,-0.00932039,-0.00412500,-0.00949445,-0.70491651,0.13365
 181,0.04428459,0.79987783,0.00138831,-0.00106007,-0.00179173,-0.000613
 35,-0.00046969,0.00029440,0.00467169,-0.00464170,0.01836002,-0.0007142
 3,-0.00185723,0.00089509,0.01794763,0.14204483,-0.11875711,-0.04769800
 ,-0.19110494,0.11065185,0.00022657,0.00400356,0.00247941,0.00007705,-0
 .00007926,-0.00025006,-0.01361453,-0.00461567,0.03092406,-0.00089329,0
 .00612839,0.00372892,-0.18735897,0.01001501,0.11108871,0.00661047,-0.0
 4090536,0.01541790,0.25791351,0.00046946,-0.00194728,-0.00220299,-0.00
 002092,0.00072225,-0.00000119,0.01352286,0.00202457,-0.00342963,0.0177
 7964,-0.01230321,-0.01016370,-0.03075023,-0.11648901,0.04068619,-0.055
 62515,-0.05081635,0.06058078,-0.04556907,0.56213406,-0.00001336,-0.007
 07205,-0.00296361,-0.00057661,-0.00023466,0.00067580,0.03179769,0.0111
 6155,-0.00796779,-0.00130994,0.00040370,0.00560557,0.12101274,0.005750
 43,-0.16125617,0.01874037,0.04875101,-0.01219725,-0.17791421,-0.096116
 13,0.21355533,-0.01560719,-0.00885144,-0.02543272,-0.00499509,-0.00171
 646,-0.00066134,-0.08784875,-0.02108887,-0.09011928,0.00101427,0.00027
 435,0.00039003,0.01052134,0.00437010,0.01806948,-0.00158722,0.00038712
 ,-0.00182690,-0.00378497,-0.00029845,-0.00114728,0.09917962,-0.0050542
 1,-0.00202313,-0.00887047,-0.00244589,-0.00012002,-0.00009735,-0.02679
 442,-0.06072829,-0.05957539,0.01391220,0.00046575,0.03207730,-0.011141
 75,-0.00599722,-0.02159415,0.00276846,-0.00056624,0.00242337,0.0029088
 7,0.00044039,0.00085831,0.02540491,0.07063635,0.00174929,0.00045981,0.
 00453125,0.00135431,0.00060783,0.00172805,-0.09301755,-0.04750923,-0.2
 4145956,-0.00837328,-0.00002252,-0.01858312,-0.00589692,-0.00581896,-0
 .01546002,0.00163144,0.00030395,0.00178393,0.00244285,-0.00065416,0.00
 102401,0.10062628,0.04990729,0.26571483,-0.04717720,0.01609846,-0.0072
 4939,-0.00371086,0.00878143,-0.01234802,0.00420312,-0.02410128,0.01587
 468,-0.00672856,-0.00359074,0.00320193,-0.00008213,-0.00285910,0.00138
 722,-0.00045646,0.00215911,-0.00066870,0.00053915,0.00132191,-0.000682
 62,0.00115875,0.00005168,-0.00059884,0.05279629,0.01210457,-0.24001799
 ,0.12784941,-0.00263574,0.00690531,-0.00897795,0.00098137,-0.00865295,
 0.00551092,-0.00285702,-0.00025731,0.00073513,0.00000741,-0.00112429,0
 .00017143,0.00166073,-0.00002762,-0.00122270,-0.00007362,0.00051717,0.
 00003314,-0.00022370,0.00008116,-0.00022559,-0.01007624,0.25840505,-0.
 00192015,0.13039475,-0.12495974,-0.00908578,0.01174844,-0.02018649,0.0
 0062524,0.00529814,-0.00310785,0.00083061,0.00040940,0.00113173,0.0005
 6292,0.00272559,-0.00106956,-0.00128246,-0.00128839,0.00084729,-0.0005
 5860,-0.00088374,0.00079459,0.00039369,-0.00009383,0.00037642,0.009659
 06,-0.13483051,0.13404558,-0.11960713,0.09728193,0.07144903,0.00687355
 ,-0.01120415,-0.00748035,-0.01939424,0.02210694,0.01463514,0.00276350,
 0.00010977,-0.00168362,-0.00296481,-0.00532686,-0.00089158,0.00036510,
 0.00074801,0.00042163,-0.00171386,0.00048155,0.00233902,0.00123054,0.0
 0032941,-0.00040711,-0.00090809,0.00065557,0.00050029,0.13570837,0.100
 12588,-0.17329842,-0.08973508,0.00133315,-0.00352594,-0.00283848,-0.00
 975758,0.00746971,0.00755433,0.00067997,0.00169033,-0.00074418,-0.0019
 3277,-0.00339031,0.00061812,0.00106142,0.00127501,-0.00053610,-0.00061
 394,0.00068849,0.00092951,0.00107964,0.00048545,0.00007021,0.01345178,
 -0.01617973,-0.01411544,-0.10424326,0.18383466,0.07479800,-0.09129412,
 -0.11049000,0.00818168,-0.01674039,-0.01383030,0.00496384,-0.00393207,
 -0.00297020,-0.00132777,-0.00001558,0.00067497,0.00046721,0.00147198,0
 .00114475,-0.00058384,-0.00026279,0.00025979,-0.00009774,-0.00000893,-
 0.00025728,-0.00023847,0.00051794,0.00065704,-0.00944282,0.01125674,0.
 01090708,-0.07486165,0.09960790,0.11945698,-0.00030471,0.00119867,-0.0
 0042901,0.00026590,0.00034462,-0.00014600,-0.00553998,-0.00505231,0.00
 711838,-0.00057653,-0.00609418,-0.00574672,0.01230791,-0.03130827,-0.0
 0573241,-0.00474990,-0.00468284,0.01114328,-0.05618456,0.09389158,0.00
 651201,0.00020139,0.00013783,-0.00073745,0.00062017,0.00033080,-0.0002
 0907,-0.00034731,-0.00014169,0.00019446,0.05288956,0.00052655,-0.00305
 168,0.00067319,0.00020173,-0.00015651,-0.00001736,0.00132141,0.0062599
 5,-0.00569600,-0.00683527,0.00000990,0.00336356,-0.01769668,-0.0352205
 3,0.02326753,0.00371321,0.00833042,-0.00309404,0.06926875,-0.38624684,
 0.03660692,0.00048102,-0.00074964,0.00005048,-0.00086370,-0.00054897,0
 .00030662,0.00094472,0.00042501,-0.00027147,-0.05006087,0.41214553,-0.
 00000257,0.00087032,0.00029562,-0.00002347,-0.00022095,-0.00023416,0.0
 0442375,0.00147423,-0.00509261,-0.00385854,0.00125653,-0.00510494,-0.0
 0743709,0.03556517,-0.00507216,0.00854329,0.00313465,-0.00083774,0.012
 46552,0.01468176,-0.03647938,0.00045147,-0.00030249,-0.00048354,-0.000
 19962,-0.00008501,0.00003524,-0.00022773,-0.00012996,-0.00003286,-0.01
 093433,-0.05688315,0.05105677,0.00028017,-0.00069954,0.00167562,-0.001
 04334,0.00025802,0.00118136,0.00148722,-0.00012425,0.00525161,-0.22245
 217,-0.00864115,-0.21794304,0.00071345,0.00200152,-0.00265024,-0.00049
 012,-0.00099028,0.00059599,-0.00023731,0.00015675,0.00247847,0.0001280
 0,-0.00125441,0.00152958,-0.00015383,-0.00000664,-0.00046645,-0.000126
 32,-0.00003568,0.00010606,-0.00299917,0.00022492,-0.00292390,0.2220672
 3,0.00014830,0.00071629,0.00179956,0.00098465,0.00093409,-0.00098809,0
 .02414203,0.00170048,0.02360099,-0.00591076,-0.06419460,-0.01183500,0.
 00004961,0.00033632,0.00216143,-0.00022573,-0.00122420,-0.00064676,0.0
 0017303,-0.00062616,-0.00061477,-0.00017476,-0.00445001,0.00284369,0.0
 0001195,0.00002734,-0.00028484,-0.00027074,-0.00004328,-0.00013868,0.0
 0014395,0.00067679,0.00073455,0.00665408,0.06622229,-0.00152559,-0.002
 34788,0.00080449,0.00139560,0.00018557,0.00008952,-0.01533144,0.005583
 54,-0.02079779,-0.17133459,-0.01287999,-0.20487030,0.00005374,-0.00016
 475,0.00013309,0.00020975,-0.00012213,-0.00002934,-0.00013695,-0.00166
 138,-0.00122973,-0.00041677,0.00430879,-0.00096014,-0.00078157,-0.0006
 1461,-0.00006168,0.00043212,0.00012672,-0.00056558,0.00057187,0.001629
 97,0.00253313,0.20267576,0.00643678,0.23887581,0.00028051,-0.00163305,
 -0.00054771,-0.00080401,-0.00062684,0.00030794,-0.00484387,-0.00522044
 ,0.00144821,-0.02762857,0.06789840,0.02425620,-0.00133035,0.00076233,0
 .00071174,-0.00000728,0.00228000,-0.00031417,-0.00192054,0.00385335,-0
 .00098277,0.00036368,0.00085190,-0.00039026,-0.00029398,0.00009022,0.0
 0043864,-0.00031552,-0.00004042,0.00045161,0.00424430,-0.00084161,-0.0
 0013900,0.00216185,-0.02587521,-0.01543724,0.03012666,0.00012172,-0.00
 006789,-0.00064669,0.00000145,-0.00005944,0.00013547,0.00712773,-0.023
 92969,-0.01675049,0.03362209,-0.30586524,-0.16586507,-0.00275686,-0.00
 164171,0.00492292,0.00087927,-0.00204461,-0.00080152,-0.00048416,0.002
 01935,-0.00072770,0.00020080,0.00232113,-0.00006413,0.00009058,0.00016
 943,0.00023968,-0.00064222,-0.00007070,0.00028938,0.00130122,-0.001645
 55,-0.00000584,0.00198035,0.00020499,0.00003579,-0.04154660,0.33054396
 ,-0.00073704,0.00123551,-0.00054158,-0.00082472,-0.00061047,0.00012459
 ,-0.00165063,0.02401142,0.01182548,0.00328140,-0.18413788,-0.17187113,
 0.00282398,0.00310900,-0.00341278,-0.00127034,0.00134236,0.00076368,0.
 00036746,-0.00130806,0.00120531,-0.00020744,0.00027306,0.00114336,0.00
 034905,0.00010131,-0.00027413,0.00034944,-0.00016624,-0.00006139,-0.00
 164355,-0.00003604,-0.00059965,0.00901274,-0.02311836,-0.01415134,-0.0
 0984471,0.17921000,0.17594482,0.00698696,-0.01022154,-0.00507779,-0.08
 969164,0.12035048,0.03292737,0.00127563,-0.00121160,0.00057325,-0.0011
 1929,0.00009100,0.00000022,-0.00129107,-0.00218799,-0.00012016,-0.0001
 1181,0.00129477,0.00024892,0.00034128,0.00078672,-0.00025350,0.0000256
 3,0.00032543,0.00008766,0.00019362,0.00004229,0.00051205,-0.00156377,-
 0.00096649,-0.00261056,0.00017294,-0.00038418,-0.00013779,0.00066435,0
 .00014959,-0.00037472,-0.00003287,0.00010463,-0.00000565,0.08415006,0.
 00262422,-0.00380011,-0.00285538,0.10648775,-0.16890238,-0.05853054,0.
 00089923,-0.00081670,0.00046999,-0.00071797,-0.00002973,0.00021494,-0.
 00057048,0.00059949,-0.00041062,0.00038189,-0.00049829,0.00038577,-0.0
 0015653,-0.00011743,0.00027074,0.00015573,0.00020432,0.00005134,-0.000
 47584,0.00070341,0.00037415,-0.00097066,0.00063971,-0.00047990,-0.0000
 0852,-0.00022786,-0.00008981,0.00047631,-0.00028034,-0.00051641,0.0000
 4797,0.00006598,0.00009438,-0.10817310,0.17245993,0.01199156,-0.020801
 99,-0.01029172,0.01607821,-0.04084564,-0.02957414,0.00065948,0.0010086
 5,0.00110122,0.00034177,0.00001315,-0.00013368,-0.00056328,-0.00207326
 ,0.00128248,0.00061804,0.00119445,-0.00024289,0.00004274,0.00048120,-0
 .00050940,0.00011926,0.00016762,-0.00001251,0.00149964,0.00029830,0.00
 152153,-0.00457462,-0.00064132,-0.00489301,0.00003853,0.00009979,0.000
 01628,-0.00052356,0.00004952,0.00022986,0.00004152,0.00002821,-0.00009
 523,-0.02576930,0.06102134,0.04160121\\-0.00000978,0.00001270,-0.00002
 414,0.00001068,0.00000241,0.00000785,0.00000546,-0.00002647,0.00003217
 ,-0.00002067,0.00002972,-0.00002421,-0.00005921,-0.00005879,0.00008420
 ,0.00000638,0.00003602,-0.00003019,0.00006131,0.00002917,-0.00004290,0
 .00000686,0.00000313,-0.00000599,-0.00000825,-0.00000671,0.00000694,0.
 00000432,-0.00000325,0.00000400,-0.00001417,-0.00000239,-0.00000592,0.
 00001516,-0.00000949,-0.00000277,0.00000421,-0.00001209,-0.00000116,-0
 .00000230,0.00000605,0.00000213\\\@


      SCIENCE SANS CONSCIENCE N'EST QUE RUINE DE L'AME.

                                                  -- RABELAIS
 Job cpu time:       0 days  0 hours 54 minutes 23.1 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 49.5 seconds.
 File lengths (MBytes):  RWF=    198 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:44:19 2021.
